| SpectraBase Spectrum ID |
3Khc4a5b7Y |
| Name |
Verbenone |
| CAS Registry Number |
80-57-9 |
| 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 |
150.104465070 u |
| Formula |
C10H14O |
| 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/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3/t7-,8+/m0/s1 |
| InChIKey |
DCSCXTJOXBUFGB-JGVFFNPUSA-N |
| Molecular Weight |
150.221 g/mol |
| Nominal Mass |
150 u |
| Number of Peaks |
101 |
| SMILES |
CC1(C)[C@]2(C[C@@]1(C(=O)C=C2C)[H])[H] |
| SPLASH |
splash10-0a6u-9500000000-821120d1a1ffc357d5c1 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001388 |
