| SpectraBase Spectrum ID |
KK0no8QKHeb |
| Name |
exo-5-(N-Butylaminocarbonyl)-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 |
245.141578854 u |
| Formula |
C15H19NO2 |
| InChI |
InChI=1S/C15H19NO2/c1-2-3-8-16-15(17)12-9-13-10-6-4-5-7-11(10)14(12)18-13/h4-7,12-14H,2-3,8-9H2,1H3,(H,16,17)/t12-,13+,14+/m0/s1 |
| InChIKey |
BMBUROMOHFSGLR-BFHYXJOUSA-N |
| Molecular Weight |
245.322 g/mol |
| SMILES |
[C@@]12([C@](C[C@@](O2)(C=2C1=CC=CC2)[H])(C(=O)NCCCC)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931571 |
![exo-5-(n-Butylaminocarbonyl)-7-oxabenzobicyclo[2.2.1]hept-2-ene](/api/spectrum/KK0no8QKHeb/structure.png?h=300&w=458 "exo-5-(n-Butylaminocarbonyl)-7-oxabenzobicyclo[2.2.1]hept-2-ene")
