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3-O-Benzyl-5-deoxy-1,2-O-isopropylidene-4a-carba-.alpha.-DL-xylo-hexofuranuronic acid
SpectraBase Compound ID 3vNWnOsf0UO
InChI InChI=1S/C17H22O5/c1-17(2)21-13-8-12(9-14(18)19)15(16(13)22-17)20-10-11-6-4-3-5-7-11/h3-7,12-13,15-16H,8-10H2,1-2H3,(H,18,19)
InChIKey HHAWJMYQEAJIJD-UHFFFAOYSA-N
Mol Weight 306.36 g/mol
Molecular Formula C17H22O5
Exact Mass 306.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4raf02t6M75
Name 3-O-Benzyl-5-deoxy-1,2-O-isopropylidene-4a-carba-.alpha.-DL-xylo-hexofuranuronic acid
Alternate Name(s) [4-(benzyloxy)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O5
InChI InChI=1S/C17H22O5/c1-17(2)21-13-8-12(9-14(18)19)15(16(13)22-17)20-10-11-6-4-3-5-7-11/h3-7,12-13,15-16H,8-10H2,1-2H3,(H,18,19)
InChIKey HHAWJMYQEAJIJD-UHFFFAOYSA-N
Molecular Weight 306.358 g/mol
SMILES OC(CC1C(C2C(OC(O2)(C)C)C1)OCc1ccccc1)=O
SPLASH splash10-0006-7910000000-bbcd4e2594405f130513
Source of Spectrum F-54-11049-4
Wiley ID 808800