| SpectraBase Spectrum ID |
6fPCiX5vc6A |
| Name |
Nootkatinol |
| CAS Registry Number |
2492-08-2 |
| 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 |
250.156894565 u |
| Formula |
C15H22O3 |
| InChI |
InChI=1S/C15H22O3/c1-10(2)12-9-14(17)13(16)6-5-11(12)7-8-15(3,4)18/h5-6,9-10,18H,7-8H2,1-4H3,(H,16,17) |
| InChIKey |
UJTUBQLWXQBGKD-UHFFFAOYSA-N |
| Molecular Weight |
250.338 g/mol |
| Number of Peaks |
50 |
| RI1 |
2092 |
| SMILES |
OC1=CC(=C(CCC(O)(C)C)C=CC1=O)C(C)C |
| SPLASH |
splash10-0006-8920000000-520bda1a128e0c6795eb |
| 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 |
2,4,6-Cycloheptatrien-1-one, 2-hydroxy-5-(3-hydroxy-3-methylbutyl)-4-(1-methylethyl)- |
| Wiley ID |
LM_FFNSC3_2761 |
