| SpectraBase Spectrum ID |
9Z674zLHwtC |
| Name |
Valeranone |
| CAS Registry Number |
55528-90-0 |
| 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)12-7-9-14(3)8-5-6-13(16)15(14,4)10-12/h11-12H,5-10H2,1-4H3/t12-,14+,15+/m0/s1 |
| InChIKey |
HDVXJTYHXDVWQO-NWANDNLSSA-N |
| Molecular Weight |
222.372 g/mol |
| Nominal Mass |
222 u |
| Number of Peaks |
136 |
| SMILES |
C1[C@@](C[C@]2([C@@](C1)(CCCC2=O)C)C)(C(C)C)[H] |
| SPLASH |
splash10-05mp-9300000000-32a7f9dd6b21c65a9b4e |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001366 |
