| SpectraBase Spectrum ID |
K1suzlzrIj0 |
| Name |
Thujone |
| CAS Registry Number |
471-15-8 |
| 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-/m1/s1 |
| InChIKey |
USMNOWBWPHYOEA-KHQFGBGNSA-N |
| Molecular Weight |
152.237 g/mol |
| Nominal Mass |
152 u |
| Number of Peaks |
86 |
| SMILES |
CC(C)[C@@]12[C@]([C@@](C)(C(C2)=O)[H])(C1)[H] |
| SPLASH |
splash10-014i-9100000000-7f3b20eea31b1823b9b3 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001322 |
