| SpectraBase Spectrum ID |
CzQP0VbcN8p |
| Name |
Guaiol |
| CAS Registry Number |
489-86-1 |
| 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/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+/m1/s1 |
| InChIKey |
TWVJWDMOZJXUID-UTUOFQBUSA-N |
| Molecular Weight |
222.372 g/mol |
| Nominal Mass |
222 u |
| Number of Peaks |
156 |
| SMILES |
OC([C@@]1(CC=2[C@](C)(CCC2[C@](C)(CC1)[H])[H])[H])(C)C |
| SPLASH |
splash10-0btc-6900000000-3bdbb30d777463edd2ac |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000628 |
