| SpectraBase Spectrum ID |
56eP49DuSWH |
| Name |
.beta.-Nitrobenzo(6,7)bicyclo(3.2.1)octan-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
217.073893215 u |
| Formula |
C12H11NO3 |
| InChI |
InChI=1S/C12H11NO3/c14-11-6-7-5-10(12(11)13(15)16)9-4-2-1-3-8(7)9/h1-4,7,10,12H,5-6H2 |
| InChIKey |
WJVIPRJBJJJDHA-UHFFFAOYSA-N |
| Molecular Weight |
217.224 g/mol |
| SMILES |
C1(C2C=3C(=CC=CC3)C(CC1=O)C2)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902739 |
