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3,6-DIHYDROXY-2-[1-OXO-10(E)-TETRADECENYL]-CYCLOHEX-2-EN-1-ONE
SpectraBase Compound ID GZewvKmBwdZ
InChI InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(21)19-17(22)14-15-18(23)20(19)24/h4-5,18,22-23H,2-3,6-15H2,1H3/b5-4+
InChIKey RQLSBBXJAIBRHI-SNAWJCMRSA-N
Mol Weight 336.5 g/mol
Molecular Formula C20H32O4
Exact Mass 336.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JhNji32U0ko
Name 3,6-Dihydroxy-2-[(10E)-10-tetradecenoyl]-2-cyclohexen-1-one
CAS Registry Number 112727-26-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O4
InChI InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(21)19-17(22)14-15-18(23)20(19)24/h4-5,18,22-23H,2-3,6-15H2,1H3/b5-4+
InChIKey RQLSBBXJAIBRHI-SNAWJCMRSA-N
Molecular Weight 336.472 g/mol
SMILES OC1=C(C(C(CC1)O)=O)C(=O)CCCCCCCC\C=C\CCC
SPLASH splash10-0a4r-6906000000-70b03943d3c62fd50766
Source of Spectrum X2-50-1129-1
Synonyms 2-Cyclohexen-3,6-diol-1-one, 2-[10-tetradecenoyl]- 3,6-bis(oxidanyl)-2-[(E)-tetradec-10-enoyl]cyclohex-2-en-1-one 3,6-Dihydroxy-2-[(E)-1-oxotetradec-10-enyl]-1-cyclohex-2-enone 3,6-Dihydroxy-2-[(E)-tetradec-10-enoyl]cyclohex-2-en-1-one
Wiley ID 1602516