| SpectraBase Spectrum ID |
6NnAr7bt8mg |
| Name |
(2S)-2-(Tert-butoxycarbonylamino)-4-(4-nitrophenyl)butyric acid benzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.179086559 u |
| Formula |
C22H26N2O6 |
| InChI |
InChI=1S/C22H26N2O6/c1-22(2,3)30-21(26)23-19(20(25)29-15-17-7-5-4-6-8-17)14-11-16-9-12-18(13-10-16)24(27)28/h4-10,12-13,19H,11,14-15H2,1-3H3,(H,23,26)/t19-/m0/s1 |
| InChIKey |
WSMDSNHBUQVTLP-IBGZPJMESA-N |
| Molecular Weight |
414.458 g/mol |
| SMILES |
C=1(N(=O)=O)C=CC(=CC1)CC[C@](NC(OC(C)(C)C)=O)(C(OCC=1C=CC=CC1)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.824026 |
