| SpectraBase Spectrum ID |
4RUFK8H61zz |
| Name |
(2S)-2-(Tert-butoxycarbonylamino)-5-methylene-adipic acid dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
301.152537459 u |
| Formula |
C14H23NO6 |
| InChI |
InChI=1S/C14H23NO6/c1-9(11(16)19-5)7-8-10(12(17)20-6)15-13(18)21-14(2,3)4/h10H,1,7-8H2,2-6H3,(H,15,18)/t10-/m0/s1 |
| InChIKey |
MHGRKBSCLWIFCI-JTQLQIEISA-N |
| SMILES |
C(N[C@](C(=O)OC)(CCC(C(=O)OC)=C)[H])(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837062 |
