| SpectraBase Spectrum ID |
Fk3TqG1wcF6 |
| Name |
exo-5-(Allylaminocarbonyl)-7-oxabenzobicyclo[2.2.1]hept-2-ene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
229.110278725 u |
| Formula |
C14H15NO2 |
| InChI |
InChI=1S/C14H15NO2/c1-2-7-15-14(16)11-8-12-9-5-3-4-6-10(9)13(11)17-12/h2-6,11-13H,1,7-8H2,(H,15,16)/t11-,12+,13+/m0/s1 |
| InChIKey |
QVMBDHCNIXSXAA-YNEHKIRRSA-N |
| Molecular Weight |
229.279 g/mol |
| SMILES |
[C@@]12([C@](C[C@@](O2)(C=2C1=CC=CC2)[H])(C(=O)NCC=C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889601 |
![exo-5-(Allylaminocarbonyl)-7-oxabenzobicyclo[2.2.1]hept-2-ene](/api/spectrum/Fk3TqG1wcF6/structure.png?h=300&w=458 "exo-5-(Allylaminocarbonyl)-7-oxabenzobicyclo[2.2.1]hept-2-ene")
