| SpectraBase Spectrum ID |
LQZB75kVLX6 |
| Name |
Valerianol |
| CAS Registry Number |
20489-45-6 |
| 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/c1-11-6-5-7-12-8-9-13(14(2,3)16)10-15(11,12)4/h7,11,13,16H,5-6,8-10H2,1-4H3/t11-,13-,15+/m1/s1 |
| InChIKey |
MQWIFDHBNGIVPO-KYOSRNDESA-N |
| Molecular Weight |
222.372 g/mol |
| Nominal Mass |
222 u |
| Number of Peaks |
152 |
| SMILES |
OC([C@]1(C[C@@]2(C(=CCC[C@]2(C)[H])CC1)C)[H])(C)C |
| SPLASH |
splash10-0btc-7910000000-ed9c82d371ce549aa37a |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001367 |
