| SpectraBase Spectrum ID |
HTo0vgxgq4F |
| Name |
Carotol |
| CAS Registry Number |
465-28-1 |
| 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/c1-11(2)13-7-9-14(4)8-5-12(3)6-10-15(13,14)16/h5,11,13,16H,6-10H2,1-4H3/t13-,14+,15+/m1/s1 |
| InChIKey |
XZYQCFABZDVOPN-ILXRZTDVSA-N |
| Molecular Weight |
222.372 g/mol |
| Nominal Mass |
222 u |
| Number of Peaks |
136 |
| SMILES |
O[C@@]12[C@](C)(CC[C@@]2(C(C)C)[H])CC=C(CC1)C |
| SPLASH |
splash10-07bg-9700000000-d3cb0bfbc052f8950138 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000257 |
