| SpectraBase Spectrum ID |
8T4Xyts6vq8 |
| Name |
Methyl (1S,2S,3R,4R)-3-{[(benzyloxy)carbonyl]amino}bicyclo[2.2.1]hept-5-ene-2-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
301.131408092 u |
| Formula |
C17H19NO4 |
| InChI |
InChI=1S/C17H19NO4/c1-21-16(19)14-12-7-8-13(9-12)15(14)18-17(20)22-10-11-5-3-2-4-6-11/h2-8,12-15H,9-10H2,1H3,(H,18,20)/t12-,13+,14+,15-/m1/s1 |
| InChIKey |
XPHCXUYYBOKPDX-CBBWQLFWSA-N |
| Molecular Weight |
301.342 g/mol |
| SMILES |
[C@@]1([C@@]([C@@]2(C[C@]1(C=C2)[H])[H])(NC(=O)OCC1=CC=CC=C1)[H])(C(=O)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874179 |
![Methyl (1S,2S,3R,4R)-3-(benzyloxycarbonylamino)bicyclo[2.2.1]hept-5-ene-2-carboxylate](/api/spectrum/8T4Xyts6vq8/structure.png?h=300&w=458 "Methyl (1S,2S,3R,4R)-3-(benzyloxycarbonylamino)bicyclo[2.2.1]hept-5-ene-2-carboxylate")
