1,4:3,6-Dianhydro-2-deoxy-2-{5-[(2-furylmethyl)sulfanyl]-1H-tetrazol-1-yl}-D-glucitol

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Systematic / IUPAC Name: (3S,3aR,6R,6aR)-3-[5-(Furan-2-ylmethylsulfanyl)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol

ID: Reference12441

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[5-[(2-furanylmethyl)thio]-1H-tetrazol-1-yl]-;
NAT6-296037

Formula: C12H14N4O4S

Spectral Data

1,4:3,6-Dianhydro-2-deoxy-2-{5-[(2-furylmethyl)sulfanyl]-1H-tetrazol-1-yl}-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 180
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 4/6/2023 12:54:29 PM
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Identificators

InChI InChI=1S/C12H14N4O4S/c17-9-5-20-10-8(4-19-11(9)10)16-12(13-14-15-16)21-6-7-2-1-3-18-7/h1-3,8-11,17H,4-6H2/t8-,9+,10+,11+/m0/s1
InChI Key IUYMWOGSBKOJNG-LNFKQOIKSA-N
Canonical SMILES C1C(C2C(O1)C(CO2)O)N3C(=NN=N3)SCC4=CC=CO4
CAS
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Other Names D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[5-[(2-furanylmethyl)thio]-1H-tetrazol-1-yl]-;
NAT6-296037

In Other Databases

ChemSpider 10060332
PubChem 11886009