| SpectraBase Spectrum ID |
2tkAgWHlDgC |
| Name |
Allyl-[(1R,2S)-2-(benzyloxycarbonylaminomethyl)cyclopent-3-enyl)carbamic acid tert-butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
386.220557450 u |
| Formula |
C22H30N2O4 |
| InChI |
InChI=1S/C22H30N2O4/c1-5-14-24(21(26)28-22(2,3)4)19-13-9-12-18(19)15-23-20(25)27-16-17-10-7-6-8-11-17/h5-12,18-19H,1,13-16H2,2-4H3,(H,23,25)/t18-,19+/m0/s1 |
| InChIKey |
ZNPINBSHCIVNMP-RBUKOAKNSA-N |
| Molecular Weight |
386.492 g/mol |
| SMILES |
C(N([C@]1([C@@](C=CC1)(CNC(=O)OCC1=CC=CC=C1)[H])[H])CC=C)(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.829597 |
