| SpectraBase Spectrum ID |
3B38cXA3M83 |
| Name |
Widdrol |
| CAS Registry Number |
6892-80-4 |
| 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/c1-13(2)7-5-8-14(3)10-11-15(4,16)9-6-12(13)14/h6,16H,5,7-11H2,1-4H3/t14-,15+/m0/s1 |
| InChIKey |
BXGVVQADPFXGHD-LSDHHAIUSA-N |
| Molecular Weight |
222.372 g/mol |
| Nominal Mass |
222 u |
| Number of Peaks |
113 |
| SMILES |
O[C@]1(CC[C@@]2(C)C(C(C)(C)CCC2)=CC1)C |
| SPLASH |
splash10-0006-9500000000-41a31ab51df8ff744eaa |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001404 |
![WIDDROL;4-BETA-METHYL-7-ALPHA,11-ALPHA,11-BETA-TRIMETHYLBICYCLO-[5.4.0]-UNDEC-1-EN-4-ALPHA-OL](/api/spectrum/3B38cXA3M83/structure.png?h=300&w=458 "WIDDROL;4-BETA-METHYL-7-ALPHA,11-ALPHA,11-BETA-TRIMETHYLBICYCLO-[5.4.0]-UNDEC-1-EN-4-ALPHA-OL")
