| SpectraBase Spectrum ID |
IjwtPiFHXFj |
| Name |
3-Pentylspiro[4,14]nonadec-3-en-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.323565971 u |
| Formula |
C24H42O |
| InChI |
InChI=1S/C24H42O/c1-2-3-14-17-22-20-24(21-23(22)25)18-15-12-10-8-6-4-5-7-9-11-13-16-19-24/h20H,2-19,21H2,1H3 |
| InChIKey |
VPQMTAYYDOVXQH-UHFFFAOYSA-N |
| Molecular Weight |
346.599 g/mol |
| SMILES |
C1C(C(=CC11CCCCCCCCCCCCCC1)CCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911782 |
![3-Pentylspiro[4,14]nonadec-3-en-2-one](/api/spectrum/IjwtPiFHXFj/structure.png?h=300&w=458 "3-Pentylspiro[4,14]nonadec-3-en-2-one")
