| SpectraBase Spectrum ID |
Jy7UWrtik9F |
| Name |
Dimethyl 2-nitro-9,10-dihydro-9,10-ethanoanthracene-9,10-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
367.105587265 u |
| Formula |
C20H17NO6 |
| InChI |
InChI=1S/C20H17NO6/c1-26-17(22)19-9-10-20(18(23)27-2,14-6-4-3-5-13(14)19)16-11-12(21(24)25)7-8-15(16)19/h3-8,11H,9-10H2,1-2H3 |
| InChIKey |
ILDNOMRFHDTJPQ-UHFFFAOYSA-N |
| Molecular Weight |
367.357 g/mol |
| SMILES |
C12(C=3C(=CC=C(N(=O)=O)C3)C(CC1)(C(=O)OC)C1=C2C=CC=C1)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.811045 |
