| SpectraBase Spectrum ID |
HYmn4GoQALT |
| Name |
2-Azabicyclo[3.1.0]hex-3-ene-2,6-dicarboxylic acid 2-tert-butyl ester 6-benzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
315.147058156 u |
| Formula |
C18H21NO4 |
| InChI |
InChI=1S/C18H21NO4/c1-18(2,3)23-17(21)19-10-9-13-14(15(13)19)16(20)22-11-12-7-5-4-6-8-12/h4-10,13-15H,11H2,1-3H3 |
| InChIKey |
IYNOFCHQQSIMLU-UHFFFAOYSA-N |
| SMILES |
C12N(C=CC2C1C(=O)OCC=1C=CC=CC1)C(=O)OC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881347 |
![2-Azabicyclo[3.1.0]hex-3-ene-2,6-dicarboxylic acid 2-tert-butyl ester 6-benzyl ester](/api/spectrum/HYmn4GoQALT/structure.png?h=300&w=458 "2-Azabicyclo[3.1.0]hex-3-ene-2,6-dicarboxylic acid 2-tert-butyl ester 6-benzyl ester")
