| SpectraBase Spectrum ID |
APwu4JT0yLb |
| Name |
(2S)-Methyl 4-methyl-2-[(4S,5S)-5'-carbonyl-4'-benzyloxazolidin-2'-one]aminopentanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.168521876 u |
| Formula |
C18H24N2O5 |
| InChI |
InChI=1S/C18H24N2O5/c1-11(2)9-14(17(22)24-3)19-16(21)15-13(20-18(23)25-15)10-12-7-5-4-6-8-12/h4-8,11,13-15H,9-10H2,1-3H3,(H,19,21)(H,20,23)/t13-,14-,15-/m0/s1 |
| InChIKey |
AQLFWCQDZFKRCV-KKUMJFAQSA-N |
| Molecular Weight |
348.399 g/mol |
| SMILES |
[C@]1(C(N[C@](C(=O)OC)(CC(C)C)[H])=O)([C@@](NC(O1)=O)(CC1=CC=CC=C1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87752 |
![(2S)-Methyl 4-methyl-2-[(4S,5S)-5'-carbonyl-4'-benzyloxazolidin-2'-one]aminopentanoate](/api/spectrum/APwu4JT0yLb/structure.png?h=300&w=458 "(2S)-Methyl 4-methyl-2-[(4S,5S)-5'-carbonyl-4'-benzyloxazolidin-2'-one]aminopentanoate")
