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Octahydronaphthalenone <6-isopropyl-, 2(1H)->
SpectraBase Compound ID KPwXY4efZQu
InChI InChI=1S/C13H22O/c1-9(2)10-3-4-12-8-13(14)6-5-11(12)7-10/h9-12H,3-8H2,1-2H3
InChIKey HEKJOMVJRYMUDB-UHFFFAOYSA-N
Mol Weight 194.32 g/mol
Molecular Formula C13H22O
Exact Mass 194.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J50bBZnGi0L
Name Octahydronaphthalenone <6-isopropyl-, 2(1H)->
CAS Registry Number 34131-98-1
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 194.167065327 u
Formula C13H22O
InChI InChI=1S/C13H22O/c1-9(2)10-3-4-12-8-13(14)6-5-11(12)7-10/h9-12H,3-8H2,1-2H3
InChIKey HEKJOMVJRYMUDB-UHFFFAOYSA-N
Molecular Weight 194.318 g/mol
Number of Peaks 50
RI1 1596
RI2 1274
RI3 1494
RI4 1455
SMILES C1C(CC2C(C1)CC(CC2)C(C)C)=O
SPLASH splash10-052f-9600000000-701b5a9fec3a49c389e6
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)-Naphthalenone, octahydro-6-(1-methylethyl)-
Wiley ID LM_FFNSC3_1226