| SpectraBase Spectrum ID |
8K720g1pAn2 |
| Name |
Thujanol acetate |
| CAS Registry Number |
62181-91-3 |
| 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 |
196.146329882 u |
| Formula |
C12H20O2 |
| 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/C12H20O2/c1-7(2)12-5-10(12)8(3)11(6-12)14-9(4)13/h7-8,10-11H,5-6H2,1-4H3/t8-,10+,11+,12-/m1/s1 |
| InChIKey |
RYMWIDNPMDLHRP-NUGNTBJXSA-N |
| Molecular Weight |
196.290 g/mol |
| Nominal Mass |
196 u |
| Number of Peaks |
71 |
| SMILES |
[C@@]12(C[C@@]2(C[C@@]([C@@]1(C)[H])(OC(=O)C)[H])C(C)C)[H] |
| SPLASH |
splash10-0006-9200000000-a0986e17bea878d108e1 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001312 |
