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3-O-Acetyl-5-azido-6-O-benzoyl-5-deoxy-1,2-O-isopropylidene-.beta.-l-idofuranose
SpectraBase Compound ID 336o1Xz6vSb
InChI InChI=1S/C18H21N3O7/c1-10(22)25-14-13(26-17-15(14)27-18(2,3)28-17)12(20-21-19)9-24-16(23)11-7-5-4-6-8-11/h4-8,12-15,17H,9H2,1-3H3
InChIKey CRESIJJFPOWFPD-UHFFFAOYSA-N
Mol Weight 391.38 g/mol
Molecular Formula C18H21N3O7
Exact Mass 391.13795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0od0efNjWq
Name 3-O-Acetyl-5-azido-6-O-benzoyl-5-deoxy-1,2-O-isopropylidene-.beta.-l-idofuranose
Alternate Name(s) benzoic acid [2-(6-acetyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-2-azidoethyl] ester [2-(6-acetyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-2-azidoethyl] benzoate [2-(6-acetoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-2-azido-ethyl] benzoate [2-(6-acetyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-2-azido-ethyl] benzoate
CAS Registry Number 33999-41-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21N3O7
InChI InChI=1S/C18H21N3O7/c1-10(22)25-14-13(26-17-15(14)27-18(2,3)28-17)12(20-21-19)9-24-16(23)11-7-5-4-6-8-11/h4-8,12-15,17H,9H2,1-3H3
InChIKey CRESIJJFPOWFPD-UHFFFAOYSA-N
Molecular Weight 391.380 g/mol
SMILES c1c(cccc1)C(OCC(C1C(C2OC(OC2O1)(C)C)OC(=O)C)\N=N\#N)=O
SPLASH splash10-052f-8910000000-b0a3f5b669876f4645f9
Source of Spectrum NP-14-2267-0
Wiley ID 1111613