| SpectraBase Spectrum ID |
IskS9J3A7CI |
| Name |
(Phenylmethyl) N-[(1S)-1-[(2S,3R)-2-methanoyl-4-oxidanylidene-1-(phenylmethyl)azetidin-3-yl]-2-methyl-propyl]carbamate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.189257321 u |
| Formula |
C23H26N2O4 |
| InChI |
InChI=1S/C23H26N2O4/c1-16(2)21(24-23(28)29-15-18-11-7-4-8-12-18)20-19(14-26)25(22(20)27)13-17-9-5-3-6-10-17/h3-12,14,16,19-21H,13,15H2,1-2H3,(H,24,28)/t19-,20+,21+/m1/s1 |
| InChIKey |
NLLIEXNZCBRBQM-HKBOAZHASA-N |
| Molecular Weight |
394.471 g/mol |
| SMILES |
C1(N([C@@]([C@]1([C@@](NC(=O)OCC=1C=CC=CC1)(C(C)C)[H])[H])(C=O)[H])CC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950078 |
![(phenylmethyl) N-[(1S)-1-[(2S,3R)-2-methanoyl-4-oxidanylidene-1-(phenylmethyl)azetidin-3-yl]-2-methyl-propyl]carbamate](/api/spectrum/IskS9J3A7CI/structure.png?h=300&w=458 "(phenylmethyl) N-[(1S)-1-[(2S,3R)-2-methanoyl-4-oxidanylidene-1-(phenylmethyl)azetidin-3-yl]-2-methyl-propyl]carbamate")
