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2(1H)-Phenanthrenone, 3,4,4a,9,10,10a-hexahydro-6-hydroxy-1,1,4a-trimethyl-7-(1-methylethyl)-, (4aS-trans)-
SpectraBase Compound ID 95KAz2rgWS2
InChI InChI=1S/C20H28O2/c1-12(2)14-10-13-6-7-17-19(3,4)18(22)8-9-20(17,5)15(13)11-16(14)21/h10-12,17,21H,6-9H2,1-5H3
InChIKey QBSIRAFQXBAHET-UHFFFAOYSA-N
Mol Weight 300.44 g/mol
Molecular Formula C20H28O2
Exact Mass 300.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1HUzt1MZyGA
Name Hinokione
CAS Registry Number 472-37-7
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 300.208930140 u
Formula C20H28O2
InChI InChI=1S/C20H28O2/c1-12(2)14-10-13-6-7-17-19(3,4)18(22)8-9-20(17,5)15(13)11-16(14)21/h10-12,17,21H,6-9H2,1-5H3
InChIKey QBSIRAFQXBAHET-UHFFFAOYSA-N
Molecular Weight 300.442 g/mol
Number of Peaks 50
RI1 2549
SMILES Oc1cc2c(cc1C(C)C)CCC1C(C)(C)C(CCC21C)=O
SPLASH splash10-0udu-3963000000-b91c18e92ba578ed2f66
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 2(1H)-Phenanthrenone, 3,4,4a,9,10,10a-hexahydro-6-hydroxy-1,1,4a-trimethyl-7-(1-methylethyl)-
Wiley ID LM_FFNSC3_2952