| SpectraBase Spectrum ID |
2eua3SfnlzC |
| Name |
N-Ethylnorpentylone-A (-2H) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
247.120843408 u |
| Formula |
C14H17NO3 |
| InChI |
InChI=1S/C14H17NO3/c1-3-5-11(15-4-2)14(16)10-6-7-12-13(8-10)18-9-17-12/h5-8,15H,3-4,9H2,1-2H3/b11-5- |
| InChIKey |
CKSXHHKQYOQMEC-WZUFQYTHSA-N |
| Molecular Weight |
247.294 g/mol |
| SMILES |
C=1(C(\C(NCC)=C\CC)=O)C=C2C(=CC1)OCO2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899396 |
