| SpectraBase Spectrum ID |
5sjxLHk1aQ4 |
| Name |
Thujene |
| CAS Registry Number |
2867-05-2 |
| 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 |
136.125200515 u |
| Formula |
C10H16 |
| 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/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4,7,9H,5-6H2,1-3H3 |
| InChIKey |
KQAZVFVOEIRWHN-UHFFFAOYSA-N |
| Molecular Weight |
136.238 g/mol |
| Nominal Mass |
136 u |
| Number of Peaks |
77 |
| SMILES |
CC(C)C12C(C(C)=CC2)C1 |
| SPLASH |
splash10-0006-9000000000-934bb7531265072bb01d |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA002099 |
