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2',3'-Dihydro-sorbicillin
SpectraBase Compound ID 4duUXoPeo1C
InChI InChI=1S/C14H18O3/c1-4-5-6-7-12(15)11-8-9(2)13(16)10(3)14(11)17/h4-5,8,16-17H,6-7H2,1-3H3/b5-4+
InChIKey QQBOFNUXGPKLIK-SNAWJCMRSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID yl1yxdBgb1
Name (E)-1-(2,4-dihydroxy-3,5-dimethyl-phenyl)hex-4-en-1-one
CAS Registry Number 79950-82-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O3
InChI InChI=1S/C14H18O3/c1-4-5-6-7-12(15)11-8-9(2)13(16)10(3)14(11)17/h4-5,8,16-17H,6-7H2,1-3H3/b5-4+
InChIKey QQBOFNUXGPKLIK-SNAWJCMRSA-N
Molecular Weight 234.295 g/mol
SMILES Oc1c(c(c(cc1C)C(=O)CC\C=C\C)O)C
SPLASH splash10-014l-9820000000-84ae87ee45874c2881f9
Source of Spectrum F-39-4254-0
Synonyms (E)-1-(2,4-dihydroxy-3,5-dimethylphenyl)-4-hexen-1-one (E)-1-[3,5-dimethyl-2,4-bis(oxidanyl)phenyl]hex-4-en-1-one
Wiley ID 1236082