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

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

ID: Reference9598

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-(5-phenyl-1H-tetrazol-1-yl)-, 5-[[3-(trifluoromethyl)phenyl]carbamate];
NAT6-296222

Formula: C21H18F3N5O4

Spectral Data

1,4:3,6-Dianhydro-2-deoxy-2-(5-phenyl-1H-tetrazol-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 624
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/15/2020 7:50:57 AM
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Identificators

InChI InChI=1S/C21H18F3N5O4/c22-21(23,24)13-7-4-8-14(9-13)25-20(30)33-16-11-32-17-15(10-31-18(16)17)29-19(26-27-28-29)12-5-2-1-3-6-12/h1-9,15-18H,10-11H2,(H,25,30)/t15-,16+,17+,18+/m0/s1
InChI Key LGOVLTYUYXWSNW-BSDSXHPESA-N
Canonical SMILES C1C(C2C(O1)C(CO2)OC(=O)NC3=CC=CC(=C3)C(F)(F)F)N4C(=NN=N4)C5=CC=CC=C5
CAS
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Other Names D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-(5-phenyl-1H-tetrazol-1-yl)-, 5-[[3-(trifluoromethyl)phenyl]carbamate];
NAT6-296222

In Other Databases

ChemSpider 10060369
PubChem 11886046