| SpectraBase Spectrum ID |
BAeZwr6sy |
| 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 |
| 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/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 |
| Nominal Mass |
232 u |
| Number of Peaks |
183 |
| SMILES |
OC=1C(C=CC(=C(C1)C(C)C)CC=C(C)C)=O |
| SPLASH |
splash10-001m-6920000000-381a1c18196a52389779 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001024 |
