1,4:3,6-Dianhydro-2-deoxy-2-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-5-O-{[3-(trifluoromethyl)phenyl]carbamoyl}-D-glucitol

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Systematic / IUPAC Name: [(3S,3aR,6R,6aS)-3-[4-(Methoxymethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-[3-(trifluoromethyl)phenyl]carbamate

ID: Reference12494

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-, 5-[[3-(trifluoromethyl)phenyl]carbamate];
NAT6-305149

Formula: C18H19F3N4O5

Spectral Data

1,4:3,6-Dianhydro-2-deoxy-2-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-5-O-{[3-(trifluoromethyl)phenyl]carbamoyl}-D-glucitol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 1366
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/27/2023 2:23:36 PM
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Identificators

InChI InChI=1S/C18H19F3N4O5/c1-27-7-12-6-25(24-23-12)13-8-28-16-14(9-29-15(13)16)30-17(26)22-11-4-2-3-10(5-11)18(19,20)21/h2-6,13-16H,7-9H2,1H3,(H,22,26)/t13-,14+,15+,16+/m0/s1
InChI Key UHYPVUMCRUIYJF-ZJIFWQFVSA-N
Canonical SMILES COCC1=CN(N=N1)C2COC3C2OCC3OC(=O)NC4=CC=CC(=C4)C(F)(F)F
CAS
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Other Names D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-, 5-[[3-(trifluoromethyl)phenyl]carbamate];
NAT6-305149

In Other Databases

PubChem 11886657
ChemSpider 10060980