| SpectraBase Spectrum ID |
BqzKd2lj68y |
| Name |
1,4-Methanonaphthalene-5,8-dione, 1,4,4A,8A-tetrahydro-4A-nitro-, (1.alpha.,4.alpha.,4A.beta.,8A.beta.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
219.053157770 u |
| Formula |
C11H9NO4 |
| InChI |
InChI=1S/C11H9NO4/c13-8-3-4-9(14)11(12(15)16)7-2-1-6(5-7)10(8)11/h1-4,6-7,10H,5H2/t6-,7+,10-,11-/m0/s1 |
| InChIKey |
KGXNCZDTZSXJEE-SSDHTEECSA-N |
| Molecular Weight |
219.196 g/mol |
| SMILES |
[C@]12(N(=O)=O)[C@@]([C@]3([H])C[C@]2(C=C3)[H])(C(=O)C=CC1=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.813609 |
