| SpectraBase Spectrum ID |
4zug1X0Sfo |
| Name |
Thujanol |
| CAS Registry Number |
21653-18-9 |
| 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 |
154.135765199 u |
| Formula |
C10H18O |
| 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/C10H18O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-9,11H,4-5H2,1-3H3/t7-,8-,9-,10+/m0/s1 |
| InChIKey |
DZVXRFMREAADPP-AATLWQCWSA-N |
| Molecular Weight |
154.253 g/mol |
| Nominal Mass |
154 u |
| Number of Peaks |
87 |
| SMILES |
O[C@]1(C[C@]2(C[C@]2([C@@]1(C)[H])[H])C(C)C)[H] |
| SPLASH |
splash10-0006-9100000000-af3d9641be546336d1ff |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Synonyms |
3-Isothujanol |
| Wiley ID |
RA001315 |
