| SpectraBase Spectrum ID |
1fVdnWZ4j2 |
| Name |
Patchoulene |
| CAS Registry Number |
560-32-7 |
| 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 |
204.187800773 u |
| Formula |
C15H24 |
| 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/C15H24/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h5,10,12-13H,6-9H2,1-4H3/t10-,12+,13-,15-/m1/s1 |
| InChIKey |
KVQOADNSNSUAJT-CQROYNQRSA-N |
| Molecular Weight |
204.357 g/mol |
| Nominal Mass |
204 u |
| Number of Peaks |
153 |
| SMILES |
C1(C)(C)[C@@]23[C@@]([C@](C)(CC3)[H])(C[C@@]1(CC=C2C)[H])[H] |
| SPLASH |
splash10-0a4l-7900000000-e08eeacd2122c6bf76f8 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001074 |
