| SpectraBase Spectrum ID |
EEOZiLJk43 |
| Name |
(2S)-2-(Tert-butoxycarbonylamino)-4-keto-4-(4-nitrophenyl)butyric acid methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.127050985 u |
| Formula |
C16H20N2O7 |
| InChI |
InChI=1S/C16H20N2O7/c1-16(2,3)25-15(21)17-12(14(20)24-4)9-13(19)10-5-7-11(8-6-10)18(22)23/h5-8,12H,9H2,1-4H3,(H,17,21)/t12-/m1/s1 |
| InChIKey |
MPNBOSBYUWUGSR-GFCCVEGCSA-N |
| Molecular Weight |
352.343 g/mol |
| SMILES |
C=1(N(=O)=O)C=CC(C(C[C@@](NC(OC(C)(C)C)=O)(C(=O)OC)[H])=O)=CC1 |
