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(3aR*,8aS*)-1-Acetyl-8a-hydroxy-6-methyl-7,8,8,8a-tetrahydro-3H-azulene-3a-carboxylic acid ethyl ester
SpectraBase Compound ID 19nMMdle1Bk
InChI InChI=1S/C16H22O4/c1-4-20-14(18)15-8-5-11(2)6-10-16(15,19)13(7-9-15)12(3)17/h5,7-8,11,19H,4,6,9-10H2,1-3H3/t11?,15-,16+/m1/s1
InChIKey FUIRNAIQUFMUOO-ZNQYIGRYSA-N
Mol Weight 278.35 g/mol
Molecular Formula C16H22O4
Exact Mass 278.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1k47vkzodNP
Name (3aR*,8aS*)-1-Acetyl-8a-hydroxy-6-methyl-7,8,8,8a-tetrahydro-3H-azulene-3a-carboxylic acid ethyl ester
Alternate Name(s) Ethyl (3aR,8aS)-1-acetyl-8a-hydroxy-6-methyl-6,7,8,8a-tetrahydro-3a(3H)-azulenecarboxylate
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Formula C16H22O4
InChI InChI=1S/C16H22O4/c1-4-20-14(18)15-8-5-11(2)6-10-16(15,19)13(7-9-15)12(3)17/h5,7-8,11,19H,4,6,9-10H2,1-3H3/t11?,15-,16+/m1/s1
InChIKey FUIRNAIQUFMUOO-ZNQYIGRYSA-N
Molecular Weight 278.348 g/mol
SMILES O[C@]12[C@@](C=CC(C)CC2)(C(=O)OCC)CC=C1C(=O)C
SPLASH splash10-000i-0950000000-4a39f52191ab8977a715
Source of Spectrum C5-2004-2214-8
Wiley ID 1617259