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(+)-1.alpha.H,7.alpha.H-Guaia-4,11-dien-3-one
SpectraBase Compound ID 9Osq9BGkMIa
InChI InChI=1S/C15H22O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)14(13)7-12/h10,12-13H,1,5-8H2,2-4H3/t10-,12+,13-/m0/s1
InChIKey CESATEXQMONATC-UHTWSYAYSA-N
Mol Weight 218.34 g/mol
Molecular Formula C15H22O
Exact Mass 218.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4PfgiWYfDTJ
Name (+)-1.alpha.H,7.alpha.H-Guaia-4,11-dien-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O
InChI InChI=1S/C15H22O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)14(13)7-12/h10,12-13H,1,5-8H2,2-4H3/t10-,12+,13-/m0/s1
InChIKey CESATEXQMONATC-UHTWSYAYSA-N
Molecular Weight 218.340 g/mol
SMILES C12=C(C(=O)C[C@]2([C@](CC[C@](C1)(C(=C)C)[H])(C)[H])[H])C
SPLASH splash10-014i-0390000000-b8977cb105fbf5f42f0a
Source of Spectrum KC-61-11161-1
Synonyms (5R,8S,8aS)-3,8-dimethyl-5-(1-methylethenyl)-4,5,6,7,8,8a-hexahydro-1H-azulen-2-one (5R,8S,8aS)-3,8-dimethyl-5-prop-1-en-2-yl-4,5,6,7,8,8a-hexahydro-1H-azulen-2-one
Wiley ID 1631270