| SpectraBase Spectrum ID |
g8AbX2A88 |
| Name |
Patchouli alcohol |
| CAS Registry Number |
5986-55-0 |
| 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 |
222.198365456 u |
| Formula |
C15H26O |
| 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/C15H26O/c1-10-5-8-15(16)13(2,3)11-6-7-14(15,4)12(10)9-11/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m0/s1 |
| InChIKey |
GGHMUJBZYLPWFD-CUZKYEQNSA-N |
| Molecular Weight |
222.372 g/mol |
| Nominal Mass |
222 u |
| Number of Peaks |
171 |
| SMILES |
O[C@@]12C([C@@]3(CC[C@]2([C@@](C3)([C@](CC1)(C)[H])[H])C)[H])(C)C |
| SPLASH |
splash10-007o-9510000000-d003200d90bcbde189f4 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001077 |
