| SpectraBase Spectrum ID |
6PTLjxOebGP |
| Name |
(E)-3-Methylcyclopentadec-2-en-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.214015521 u |
| Formula |
C16H28O |
| InChI |
InChI=1S/C16H28O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h14H,2-13H2,1H3/b15-14+ |
| InChIKey |
RLAOJKCSTGZACZ-CCEZHUSRSA-N |
| Molecular Weight |
236.399 g/mol |
| SMILES |
C1CCCCCCCCC(\C=C\(CCC1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924257 |
