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2-Azidomethyl-benzoic acid (3aR,6R,6aR)-5-((R)-2-acetoxy-1-acetylsulfanyl-ethyl)-2,2-dimethyl-tetrahydro-furo[2,3-d][1,3]dioxol-6-yl ester

View entire compound with spectra: 1 MS (GC)

2-Azidomethyl-benzoic acid (3aR,6R,6aR)-5-((R)-2-acetoxy-1-acetylsulfanyl-ethyl)-2,2-dimethyl-tetrahydro-furo[2,3-d][1,3]dioxol-6-yl ester
SpectraBase Compound ID 5dT3HvzLwM3
InChI InChI=1S/C21H25N3O8S/c1-11(25)28-10-15(33-12(2)26)16-17(18-20(30-16)32-21(3,4)31-18)29-19(27)14-8-6-5-7-13(14)9-23-24-22/h5-8,15-18,20H,9-10H2,1-4H3/t15-,16?,17+,18-,20-/m1/s1
InChIKey QMQQOFDQFOJMDR-UNEYCJDPSA-N
Mol Weight 479.5 g/mol
Molecular Formula C21H25N3O8S
Exact Mass 479.136236 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2udj9uAvYG
Name 2-Azidomethyl-benzoic acid (3aR,6R,6aR)-5-((R)-2-acetoxy-1-acetylsulfanyl-ethyl)-2,2-dimethyl-tetrahydro-furo[2,3-d][1,3]dioxol-6-yl ester
Alternate Name(s) 2-(Azidomethyl)benzoyl-thioacetate 6-O-acetyl-5-S-acetyl-3-O-[2-(azidomethyl)benzoyl]-1,2-O-(1-methylethylidene)-5-thio-.alpha.-D-xylo-hexofuranose Azmb-thioacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25N3O8S
InChI InChI=1S/C21H25N3O8S/c1-11(25)28-10-15(33-12(2)26)16-17(18-20(30-16)32-21(3,4)31-18)29-19(27)14-8-6-5-7-13(14)9-23-24-22/h5-8,15-18,20H,9-10H2,1-4H3/t15-,16?,17+,18-,20-/m1/s1
InChIKey QMQQOFDQFOJMDR-UNEYCJDPSA-N
Molecular Weight 479.504 g/mol
SMILES [C@@]12([C@](C([C@](SC(=O)C)(COC(=O)C)[H])O[C@@]2(OC(O1)(C)C)[H])(OC(c1c(CN=[N+]=[N-])cccc1)=O)[H])[H]
SPLASH splash10-000x-9700100000-09508adf1cbec4dc11ae
Source of Spectrum SK-32-3352-7
Wiley ID 1548964