| SpectraBase Spectrum ID |
JmNbjPvKo4S |
| Name |
Methyl ester of .alpha.-acetyl-2-(1-piperidinyl)cyclopenteneacetic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
265.167793602 u |
| Formula |
C15H23NO3 |
| InChI |
InChI=1S/C15H23NO3/c1-11(17)14(15(18)19-2)12-7-6-8-13(12)16-9-4-3-5-10-16/h14H,3-10H2,1-2H3 |
| InChIKey |
NHRVVRVQMMSGBC-UHFFFAOYSA-N |
| Molecular Weight |
265.353 g/mol |
| SMILES |
C1(C(C(=O)OC)C(=O)C)=C(N2CCCCC2)CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962092 |
