| SpectraBase Spectrum ID |
Fr0cHX3yVTX |
| Name |
Thujone |
| CAS Registry Number |
546-80-5 |
| 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 |
152.120115134 u |
| Formula |
C10H16O |
| 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/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8-,10+/m0/s1 |
| InChIKey |
USMNOWBWPHYOEA-OYNCUSHFSA-N |
| Molecular Weight |
152.237 g/mol |
| Nominal Mass |
152 u |
| Number of Peaks |
96 |
| SMILES |
[C@@]12(C[C@@]2(CC([C@]1(C)[H])=O)C(C)C)[H] |
| SPLASH |
splash10-014i-9100000000-e96b7d5e3fa648bc8d54 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001321 |
