| SpectraBase Spectrum ID |
4VEpkKKoZBf |
| Name |
Valeranone |
| Carrier Gas |
Helium (1.0 mL/min) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
222.198365456 u |
| Formula |
C15H26O |
| GC Column |
DB-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer) |
| GC Oven Program |
Oven temp 250oC |
| 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 |
| Inlet Type |
split (20:1) |
| Instrument Name |
Shimadzu GC/MS-QP 2010SE |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cbdv.202300793 |
| Molecular Weight |
222.372 g/mol |
| Quality |
689 |
| SMILES |
[C@]1(CC[C@]2(CCCC([C@@]2(C)C1)=O)C)(C(C)C)[H] |
| SPLASH |
splash10-0006-9300000000-8f5f5ed745a266a24b5d |
| Source of Spectrum |
CBD-20-SM3-No-43 (DOI: 10.1002/cbdv.202300793) |
| Wiley ID |
1909971 |
