| SpectraBase Spectrum ID |
30i6iuBySW |
| Name |
Copaene |
| CAS Registry Number |
3856-25-5 |
| 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 |
220.219100902 u |
| Formula |
C16H28 |
| 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/C16H28/c1-10(2)14-9-8-12(4)15-11(3)6-7-13(5)16(14)15/h6,10,12-16H,7-9H2,1-5H3/t12-,13-,14+,15-,16+/m0/s1 |
| InChIKey |
CZYUHZXAMRPBST-ARKGTOAJSA-N |
| Molecular Weight |
220.400 g/mol |
| Nominal Mass |
220 u |
| Number of Peaks |
139 |
| SMILES |
CC(C)[C@@]1([C@@]2([C@@](C(C)=CC[C@@]2(C)[H])([C@@](C)(CC1)[H])[H])[H])[H] |
| SPLASH |
splash10-07bf-6900000000-d7c4c344a3c9ff203e27 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000364 |
