| SpectraBase Spectrum ID |
CZTfNykKmqI |
| Name |
Dimethyl (2E)(6S)-6-{N-[(tert-butyl)oxycarbonyl]-N-[(tert-butyl)oxycarbonyl]amino}hept-2-ene-dioate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
401.204966954 u |
| Formula |
C19H31NO8 |
| InChI |
InChI=1S/C19H31NO8/c1-18(2,3)27-16(23)20(17(24)28-19(4,5)6)13(15(22)26-8)11-9-10-12-14(21)25-7/h10,12-13H,9,11H2,1-8H3/b12-10+/t13-/m0/s1 |
| InChIKey |
WLQQNJHYBKNEFM-XSNHNAGMSA-N |
| Molecular Weight |
401.456 g/mol |
| SMILES |
C(N(C(OC(C)(C)C)=O)[C@](C(=O)OC)(CC\C=C\C(=O)OC)[H])(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967527 |
![Dimethyl (2E)(6S)-6-{N-[(tert-butyl)oxycarbonyl]-N-[(tert-butyl)oxycarbonyl]amino}hept-2-ene-dioate](/api/spectrum/CZTfNykKmqI/structure.png?h=300&w=458 "Dimethyl (2E)(6S)-6-{N-[(tert-butyl)oxycarbonyl]-N-[(tert-butyl)oxycarbonyl]amino}hept-2-ene-dioate")
