| SpectraBase Spectrum ID |
9daEK6D9s7v |
| Name |
neoiso-3-Thujanol acetate |
| CAS Registry Number |
62181-91-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H20O2 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m 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 |
| 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 |
| Synonyms |
Thujanol acetate |
| Wiley ID |
1887073 |
