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1-O-Benzyl-3,4-O-isopropylidenebutane-1,2,3,4-tetrol - 2-(4"-nitrobenzoate)
SpectraBase Compound ID 5XfysIubj0Q
InChI InChI=1S/C21H23NO7/c1-21(2)27-14-19(29-21)18(13-26-12-15-6-4-3-5-7-15)28-20(23)16-8-10-17(11-9-16)22(24)25/h3-11,18-19H,12-14H2,1-2H3
InChIKey GVCZCZHSTBCMHF-UHFFFAOYSA-N
Mol Weight 401.42 g/mol
Molecular Formula C21H23NO7
Exact Mass 401.147452 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 25xDubOhpkq
Name 1-O-Benzyl-3,4-O-isopropylidenebutane-1,2,3,4-tetrol - 2-(4"-nitrobenzoate)
Alternate Name(s) 2-(benzyloxy)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl 4-nitrobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO7
InChI InChI=1S/C21H23NO7/c1-21(2)27-14-19(29-21)18(13-26-12-15-6-4-3-5-7-15)28-20(23)16-8-10-17(11-9-16)22(24)25/h3-11,18-19H,12-14H2,1-2H3
InChIKey GVCZCZHSTBCMHF-UHFFFAOYSA-N
Molecular Weight 401.415 g/mol
SMILES c1(N(=O)=O)ccc(C(OC(C2OC(C)(C)OC2)COCc2ccccc2)=O)cc1
SPLASH splash10-0k96-3913000000-32ecd72bcb49ce36a425
Source of Spectrum U-1996-1807-31
Wiley ID 769000