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Methyl (2E,4E,6E)-7-cyclohexyl-4-(2-hydroxyphenyl)-5-methylhepta-2,4,6-trienoate
SpectraBase Compound ID 1loetMSfwfh
InChI InChI=1S/C21H26O3/c1-16(12-13-17-8-4-3-5-9-17)18(14-15-21(23)24-2)19-10-6-7-11-20(19)22/h6-7,10-15,17,22H,3-5,8-9H2,1-2H3/b13-12+,15-14+,18-16+
InChIKey WLBBEYURIFALHH-LYDPXBMQSA-N
Mol Weight 326.44 g/mol
Molecular Formula C21H26O3
Exact Mass 326.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7jC8THeisz9
Name Methyl (2E,4E,6E)-7-cyclohexyl-4-(2-hydroxyphenyl)-5-methylhepta-2,4,6-trienoate
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.188194694 u
Formula C21H26O3
InChI InChI=1S/C21H26O3/c1-16(12-13-17-8-4-3-5-9-17)18(14-15-21(23)24-2)19-10-6-7-11-20(19)22/h6-7,10-15,17,22H,3-5,8-9H2,1-2H3/b13-12+,15-14+,18-16+
InChIKey WLBBEYURIFALHH-LYDPXBMQSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/chem.201803360
Molecular Weight 326.436 g/mol
Quality 318
Reported Formula C21H26O3
SMILES OC1=C(\C(\C=C\C(OC)=O)=C\(\C=C\C2CCCCC2)C)C=CC=C1
SPLASH splash10-01ti-1879000000-5acbba22fd1abe837c1f
Source of Spectrum QE-24-SM10-45 (DOI: 10.1002/chem.201803360)
Wiley ID 1901842