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(9Z)-3,7-Dimethyl-9-(2',6',6'-trimethylcyclohex-1'-en-1'-yl)2,4,6,8-nonateraenoic Acid-Methyl Ester
SpectraBase Compound ID 2LGLwzQoKpr
InChI InChI=1S/C21H30O4/c1-14(12-16-18(24-16)15(2)13-17(22)23-6)8-11-21-19(3,4)9-7-10-20(21,5)25-21/h8,11-13,16,18H,7,9-10H2,1-6H3/b11-8-,14-12+,15-13+
InChIKey ZWZCIAHFQXUULF-VIZGCPLNSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FOv4fVF9m5j
Name (9Z)-3,7-Dimethyl-9-(2',6',6'-trimethylcyclohex-1'-en-1'-yl)2,4,6,8-nonateraenoic Acid-Methyl Ester
Comments Less than 3 mono-isotopic peaks
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Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-14(12-16-18(24-16)15(2)13-17(22)23-6)8-11-21-19(3,4)9-7-10-20(21,5)25-21/h8,11-13,16,18H,7,9-10H2,1-6H3/b11-8-,14-12+,15-13+
InChIKey ZWZCIAHFQXUULF-VIZGCPLNSA-N
Molecular Weight 346.467 g/mol
SMILES C12(OC2(CCCC1(C)C)C)\C=C/C(=C/C1OC1\C(=C\C(=O)OC)C)C
SPLASH splash10-0a4i-0090000000-f66064ab9ab768ae7936
Source of Spectrum CRT-17-1718-8
Synonyms (9Z)-5,6,9,10-Diepoxy-retinoic Acid-Methyl Ester (E)-3-{3-[(1E,3Z)-2-Methyl-4-(2,2,6-trimethyl-7-oxa-bicyclo[4.1.0]hept-1-yl)-buta-1,3-dienyl]-oxiranyl}-but-2-enoic acid methyl ester
Wiley ID 1710038