| SpectraBase Spectrum ID |
3jVjHzzeFah |
| Name |
Botrydiol |
| CAS Registry Number |
67996-32-1 |
| 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 |
238.193280075 u |
| Formula |
C15H26O2 |
| 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/C15H26O2/c1-7-15(6)9-8-11(14(4,5)17)13(16)12(15)10(2)3/h7,11-13,16-17H,1-2,8-9H2,3-6H3/t11-,12-,13+,15-/m1/s1 |
| InChIKey |
CAJBZOYDXGGKBO-GUIRCDHDSA-N |
| Molecular Weight |
238.371 g/mol |
| Nominal Mass |
238 u |
| Number of Peaks |
142 |
| SMILES |
O[C@@]1([C@]([C@@](CC[C@]1(C(C)(C)O)[H])(C=C)C)(C(=C)C)[H])[H] |
| SPLASH |
splash10-0006-9300000000-fad7f0849fe5ad1bb58a |
| Source |
ex CHENOPODIUM BOTYRS ex VASU DEV |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000195 |
