| SpectraBase Spectrum ID |
Ek74Yf44kec |
| Name |
Nootkatone |
| CAS Registry Number |
91416-23-8 |
| 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 |
218.167065327 u |
| Formula |
C15H22O |
| InChI |
InChI=1S/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12H,1,5-7,9H2,2-4H3 |
| InChIKey |
WTOYNNBCKUYIKC-UHFFFAOYSA-N |
| Molecular Weight |
218.340 g/mol |
| Number of Peaks |
50 |
| RI1 |
1806 |
| RI2 |
1485 |
| RI3 |
1877 |
| RI4 |
1842 |
| SMILES |
C1C(C=C2C(C1C)(CC(CC2)C(C)=C)C)=O |
| SPLASH |
splash10-052g-6900000000-f5aee95a7d7bba3787d7 |
| 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(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylethenyl)- |
| Wiley ID |
LM_FFNSC3_978 |
![2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylethenyl)-, [4R-(4.alpha.,4a.alpha.,6.beta.)]-](/api/spectrum/Ek74Yf44kec/structure.png?h=300&w=458 "2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylethenyl)-, [4R-(4.alpha.,4a.alpha.,6.beta.)]-")
