| SpectraBase Spectrum ID |
J8DwqH3FQVx |
| Name |
Trans-2-phenyl-trans-3-propenyl-1-(piperidinocarbonyl)cyclopropane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
269.177964364 u |
| Formula |
C18H23NO |
| InChI |
InChI=1S/C18H23NO/c1-2-9-15-16(14-10-5-3-6-11-14)17(15)18(20)19-12-7-4-8-13-19/h2-3,5-6,9-11,15-17H,4,7-8,12-13H2,1H3/b9-2+/t15-,16+,17+/m0/s1 |
| InChIKey |
GCUTVIIHWDTRGH-HTKVMMGPSA-N |
| SMILES |
[C@@]1([C@@](\C=C\C)([C@]1(C=1C=CC=CC1)[H])[H])(C(N1CCCCC1)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947742 |
