| SpectraBase Spectrum ID |
4pqYLMpIw4 |
| Name |
Nootkatinol |
| CAS Registry Number |
2492-08-2 |
| 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 |
250.156894565 u |
| Formula |
C15H22O3 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness) |
| GC Oven Program |
60 °C to 246 °C at 3 °C/min. |
| 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 |
| Nominal Mass |
250 u |
| Number of Peaks |
186 |
| SMILES |
OC1=CC(=C(CCC(C)(C)O)C=CC1=O)C(C)C |
| SPLASH |
splash10-0006-7910000000-4609ae086e6d2ec17856 |
| Source |
ex ZAVARIN ex CUP. GLABRA WOOD |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001025 |
