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4(2H)-Azulenone, 3,3a,5,6,7,8-hexahydro-3a-methyl-1-(1-methylethyl)-, (S)-
SpectraBase Compound ID HTCYP97gMTw
InChI InChI=1S/C14H22O/c1-10(2)11-8-9-14(3)12(11)6-4-5-7-13(14)15/h10H,4-9H2,1-3H3/t14-/m0/s1
InChIKey VTFAKOVUBQIQMG-AWEZNQCLSA-N
Mol Weight 206.33 g/mol
Molecular Formula C14H22O
Exact Mass 206.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JS90Nxn8Ats
Name 4(2H)-Azulenone, 3,3a,5,6,7,8-hexahydro-3a-methyl-1-(1-methylethyl)-, (S)-
CAS Registry Number 117106-98-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O
InChI InChI=1S/C14H22O/c1-10(2)11-8-9-14(3)12(11)6-4-5-7-13(14)15/h10H,4-9H2,1-3H3/t14-/m0/s1
InChIKey VTFAKOVUBQIQMG-AWEZNQCLSA-N
Molecular Weight 206.329 g/mol
SMILES C1=2[C@](CCC2C(C)C)(C(=O)CCCC1)C
SPLASH splash10-000i-0900000000-228b1f5600032e7a9409
Source of Spectrum F-43-5602-15
Synonyms (1S)-1-Methyl-8-isopropylbicyclo[5.3.0]dec-7-en-2-one (3aS)-1-isopropyl-3a-methyl-3,3a,5,6,7,8-hexahydro-4(2H)-azulenone
Wiley ID 1205167