| SpectraBase Spectrum ID |
BF9IQqcup5y |
| Name |
1-(Tert-butoxycarbonylamino)cyclopent-3-ene-1-carboxylic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
255.147058156 u |
| Formula |
C13H21NO4 |
| InChI |
InChI=1S/C13H21NO4/c1-5-17-10(15)13(8-6-7-9-13)14-11(16)18-12(2,3)4/h6-7H,5,8-9H2,1-4H3,(H,14,16) |
| InChIKey |
QCMZWAVXDVWCSD-UHFFFAOYSA-N |
| Molecular Weight |
255.314 g/mol |
| SMILES |
C(NC1(C(=O)OCC)CC=CC1)(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964498 |
