| SpectraBase Spectrum ID |
LBB7w6qgR2C |
| Name |
(E,2R,5R)-2-Methyl-5-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]-3-hexenoic acid ethyl 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/c1-4-25-18(23)14(2)10-11-15(3)21-17(22)12-20-19(24)26-13-16-8-6-5-7-9-16/h5-11,14-15H,4,12-13H2,1-3H3,(H,20,24)(H,21,22)/b11-10+/t14-,15-/m1/s1 |
| InChIKey |
LORUHNCPDMTEHW-UWLACMPISA-N |
| Molecular Weight |
362.426 g/mol |
| SMILES |
C(NCC(N[C@@](\C=C\[C@](C(=O)OCC)(C)[H])(C)[H])=O)(=O)OCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917657 |
![(E,2R,5R)-2-methyl-5-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]-3-hexenoic acid ethyl ester](/api/spectrum/LBB7w6qgR2C/structure.png?h=300&w=458 "(E,2R,5R)-2-methyl-5-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]-3-hexenoic acid ethyl ester")
