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HAVARDIC ACID E
SpectraBase Compound ID KfHOzPU6Nqd
InChI InChI=1S/C19H30O3/c1-13(20)7-9-15-14(17(21)22-5)8-10-16-18(2,3)11-6-12-19(15,16)4/h8,15-16H,6-7,9-12H2,1-5H3/t15-,16-,19+/m0/s1
InChIKey KOWTYRBLKDLHLN-TXPKVOOTSA-N
Mol Weight 306.45 g/mol
Molecular Formula C19H30O3
Exact Mass 306.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AnNeVrydoZv
Name (1R,4aS,8aS)-1-(3-ketobutyl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalene-2-carboxylic acid methyl ester
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Formula C19H30O3
InChI InChI=1S/C19H30O3/c1-13(20)7-9-15-14(17(21)22-5)8-10-16-18(2,3)11-6-12-19(15,16)4/h8,15-16H,6-7,9-12H2,1-5H3/t15-,16-,19+/m0/s1
InChIKey KOWTYRBLKDLHLN-TXPKVOOTSA-N
Molecular Weight 306.446 g/mol
SMILES [C@@]12([C@](C(C(=O)OC)=CC[C@]2(C(C)(C)CCC1)[H])(CCC(=O)C)[H])C
SPLASH splash10-0729-6950000000-6d8a6da4383342ca776c
Source of Spectrum KC-61-986-3
Synonyms (1R,4aS,8aS)-5,5,8a-trimethyl-1-(3-oxobutyl)-1,4,4a,6,7,8-hexahydronaphthalene-2-carboxylic acid methyl ester Methyl (1R,4aS,8aS)-5,5,8a-trimethyl-1-(3-oxidanylidenebutyl)-1,4,4a,6,7,8-hexahydronaphthalene-2-carboxylate Methyl (1R,4aS,8aS)-5,5,8a-trimethyl-1-(3-oxobutyl)-1,4,4a,6,7,8-hexahydronaphthalene-2-carboxylate
Wiley ID 1627333