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(cis)isoflavan-4-ol acetate
SpectraBase Compound ID 2bJ6ZZuYh47
InChI InChI=1S/C17H16O3/c1-12(18)20-17-14-9-5-6-10-16(14)19-11-15(17)13-7-3-2-4-8-13/h2-10,15,17H,11H2,1H3/t15-,17-/m0/s1
InChIKey YFRUNTGFKFCMHH-RDJZCZTQSA-N
Mol Weight 268.31 g/mol
Molecular Formula C17H16O3
Exact Mass 268.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fq64RPUuupJ
Name (cis)isoflavan-4-ol acetate
Alternate Name(s) cis-3-Phenylchroman-4-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O3
InChI InChI=1S/C17H16O3/c1-12(18)20-17-14-9-5-6-10-16(14)19-11-15(17)13-7-3-2-4-8-13/h2-10,15,17H,11H2,1H3/t15-,17-/m0/s1
InChIKey YFRUNTGFKFCMHH-RDJZCZTQSA-N
Ionization Type EI-B
Molecular Weight 268.312 g/mol
SMILES [C@]1([C@](c2ccccc2OC1)(OC(C)=O)[H])(c1ccccc1)[H]
SPLASH splash10-0a4i-0090000000-f06c17cbb86168bee131
Source of Spectrum SRH-2022-1261-0
Wiley ID 1823700