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(+)-Guaia-1(10),11-dien-2-one
SpectraBase Compound ID DWQe05J27NO
InChI InChI=1S/C15H22O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)14(13)7-12/h11-12,14H,1,5-8H2,2-4H3/t11-,12-,14+/m0/s1
InChIKey RCVULARNBZCOJK-SGMGOOAPSA-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 8xqHtRmyj5v
Name (+)-Guaia-1(10),11-dien-2-one
Alternate Name(s) (3S,3aR,5S)-5-isopropenyl-3,8-dimethyl-3,3a,4,5,6,7-hexahydro-2(1H)-azulenone
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/h11-12,14H,1,5-8H2,2-4H3/t11-,12-,14+/m0/s1
InChIKey RCVULARNBZCOJK-SGMGOOAPSA-N
Molecular Weight 218.340 g/mol
SMILES C=12[C@@]([C@](C)(C(C2)=O)[H])(C[C@@](C(=C)C)(CCC1C)[H])[H]
SPLASH splash10-0a4i-0940000000-5db4f57476dee34c8942
Source of Spectrum F-48-10272-12
Wiley ID 1218427