| SpectraBase Spectrum ID |
CcXJdsIfZhX |
| Name |
(1S,4R)-1-(Tert-butoxycarbonylamino)-4-hydroxy-cyclopent-2-ene-1-carboxylic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
271.141972775 u |
| Formula |
C13H21NO5 |
| InChI |
InChI=1S/C13H21NO5/c1-5-18-10(16)13(7-6-9(15)8-13)14-11(17)19-12(2,3)4/h6-7,9,15H,5,8H2,1-4H3,(H,14,17)/t9-,13+/m0/s1 |
| InChIKey |
DOCXNOGOCSDHFP-TVQRCGJNSA-N |
| SMILES |
[C@@]1(NC(OC(C)(C)C)=O)(C(=O)OCC)C=C[C@@](C1)(O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.800145 |
