| SpectraBase Spectrum ID |
2nq09qYsFSV |
| Name |
Sabina ketone |
| CAS Registry Number |
36262-12-1 |
| 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 |
136.088815005 u |
| Formula |
C9H12O |
| 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/C9H12O/c1-6(2)9-4-3-8(10)7(9)5-9/h3-4,6-7H,5H2,1-2H3 |
| InChIKey |
IBMZINAPWMATGM-UHFFFAOYSA-N |
| Molecular Weight |
136.194 g/mol |
| Nominal Mass |
136 u |
| Number of Peaks |
79 |
| SMILES |
CC(C)C12C(C(=O)C=C2)C1 |
| SPLASH |
splash10-0006-9100000000-00f5c77c998bd4442a5c |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA002050 |
