| SpectraBase Spectrum ID |
4SQuExO1F9t |
| Name |
Nootkatin |
| CAS Registry Number |
4431-03-2 |
| 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 |
232.146329882 u |
| Formula |
C15H20O2 |
| InChI |
InChI=1S/C15H20O2/c1-10(2)5-6-12-7-8-14(16)15(17)9-13(12)11(3)4/h5,7-9,11H,6H2,1-4H3,(H,16,17) |
| InChIKey |
MNMNTZYOZZLKSV-UHFFFAOYSA-N |
| Molecular Weight |
232.323 g/mol |
| Number of Peaks |
50 |
| RI1 |
1964 |
| SMILES |
OC=1C(=O)C=CC(CC=C(C)C)=C(C1)C(C)C |
| SPLASH |
splash10-001m-7920000000-ffb5b75b9d6ce9ee6e51 |
| 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-methyl-2-buten-1-yl)-4-(1-methylethyl)- |
| Wiley ID |
LM_FFNSC3_2913 |
