SpectraBase Spectrum ID |
J50bBZnGi0L |
Name |
Octahydronaphthalenone <6-isopropyl-, 2(1H)-> |
CAS Registry Number |
34131-98-1 |
Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 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 |