| SpectraBase Spectrum ID |
J8SS5WhWyfq |
| Name |
neoiso-3-Thujanol |
| CAS Registry Number |
21653-19-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H18O |
| 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/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-/m1/s1 |
| InChIKey |
DZVXRFMREAADPP-XFWSIPNHSA-N |
| Molecular Weight |
154.253 g/mol |
| SMILES |
O[C@]1(C[C@]2(C[C@]2([C@]1(C)[H])[H])C(C)C)[H] |
| SPLASH |
splash10-0006-9100000000-4edf0d214a566f703aa0 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Synonyms |
Thujanol |
| Wiley ID |
1887077 |
