| SpectraBase Spectrum ID |
LbfoE3HCG50 |
| 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 |
| 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 |
| Number of Peaks |
50 |
| RI1 |
1677 |
| RI2 |
1356 |
| RI3 |
1514 |
| RI4 |
1475 |
| SMILES |
C1CC[C@]2([C@@](C1=O)(C[C@](CC2)(C(C)C)[H])C)C |
| SPLASH |
splash10-00tb-9500000000-a6caa8d28025034ca929 |
| Sample Comments |
RI1: measured on SLB-5ms (Hydro)
RI2: measured on SLB-5ms (FAMEs)
RI3: measured on Supelcowax-10 (FAMEs)
RI4: measured on Supelcowax-10 (FAEEs)
RI5: measured on Equity-1 (Hydro) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
1(2H)-Naphthalenone, octahydro-4a,8a-dimethyl-7-(1-methylethyl)-, (4aR,7S,8aS)- |
| Wiley ID |
LM_FFNSC3_1761 |
