| SpectraBase Spectrum ID |
45YFIj5GNYW |
| Name |
Calamenene |
| CAS Registry Number |
73209-42-4 |
| 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 |
202.172150708 u |
| Formula |
C15H22 |
| 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/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3/t12-,13+/m1/s1 |
| InChIKey |
PGTJIOWQJWHTJJ-OLZOCXBDSA-N |
| Molecular Weight |
202.341 g/mol |
| Nominal Mass |
202 u |
| Number of Peaks |
123 |
| SMILES |
C1C[C@](c2c([C@@]1(C)[H])ccc(c2)C)(C(C)C)[H] |
| SPLASH |
splash10-0a4i-1900000000-e3ce078f6535ed10a6bb |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000241 |
