| SpectraBase Spectrum ID |
By6J7N9A0OV |
| Name |
(E)-3-Propenylspiro[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 |
316.276615778 u |
| Formula |
C22H36O |
| InChI |
InChI=1S/C22H36O/c1-2-15-20-18-22(19-21(20)23)16-13-11-9-7-5-3-4-6-8-10-12-14-17-22/h2,15,18H,3-14,16-17,19H2,1H3/b15-2+ |
| InChIKey |
VPMHNXMCLXREPU-RSSMCMFDSA-N |
| Molecular Weight |
316.529 g/mol |
| SMILES |
C=1(C(CC2(C1)CCCCCCCCCCCCCC2)=O)\C=C\C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908831 |
![(E)-3-Propenylspiro[4,14]nonadec-3-en-2-one](/api/spectrum/By6J7N9A0OV/structure.png?h=300&w=458 "(E)-3-Propenylspiro[4,14]nonadec-3-en-2-one")
