| SpectraBase Spectrum ID |
GCwjnn2atxT |
| Name |
Benzenepropanoic acid, .alpha.-[3-(T-butoxycarbonylamino)pyrrolidin-2-on-1-yl]-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.184171940 u |
| Formula |
C19H26N2O5 |
| InChI |
InChI=1S/C19H26N2O5/c1-19(2,3)26-18(24)20-14-10-11-21(16(14)22)15(17(23)25-4)12-13-8-6-5-7-9-13/h5-9,14-15H,10-12H2,1-4H3,(H,20,24) |
| InChIKey |
ZHZGFWWJEQYMRW-UHFFFAOYSA-N |
| Molecular Weight |
362.426 g/mol |
| SMILES |
COC(=O)C(N1C(=O)C(NC(OC(C)(C)C)=O)CC1)CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938736 |
![Benzenepropanoic acid, .alpha.-[3-(t-butoxycarbonylamino)pyrrolidin-2-on-1-yl]-, methyl ester](/api/spectrum/GCwjnn2atxT/structure.png?h=300&w=458 "Benzenepropanoic acid, .alpha.-[3-(t-butoxycarbonylamino)pyrrolidin-2-on-1-yl]-, methyl ester")
