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(E)-2-hexadec-14-enoyl-3,6-dihydroxycyclohex-2-enone
SpectraBase Compound ID B2AOgMS1xun
InChI InChI=1S/C22H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(23)21-19(24)16-17-20(25)22(21)26/h2-3,20,24-25H,4-17H2,1H3/b3-2+
InChIKey LXXQIOLYXZOVBG-NSCUHMNNSA-N
Mol Weight 364.5 g/mol
Molecular Formula C22H36O4
Exact Mass 364.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HknwYTO1trN
Name (E)-2-hexadec-14-enoyl-3,6-dihydroxycyclohex-2-enone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36O4
InChI InChI=1S/C22H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(23)21-19(24)16-17-20(25)22(21)26/h2-3,20,24-25H,4-17H2,1H3/b3-2+
InChIKey LXXQIOLYXZOVBG-NSCUHMNNSA-N
Instrument Name Hewlett Packard 5890-VG 70-250
Ionization Type EI
Literature Reference DOI 10.1002/rcm.1290030609
Molecular Weight 364.526 g/mol
SMILES OC1CCC(=C(C1=O)C(=O)CCCCCCCCCCCC\C=C\C)O
SPLASH splash10-03yi-2902000000-5576ab946b08e4b11fb9
Source of Spectrum RCM-3-199-12
Wiley ID 1837132