| SpectraBase Spectrum ID |
12naHIbeJHL |
| Name |
2-(2-Cyclopenten-1-yl)naphthalene, monopicrate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
423.106649892 u |
| Formula |
C21H17N3O7 |
| InChI |
InChI=1S/C15H14.C6H3N3O7/c1-2-6-12(5-1)15-10-9-13-7-3-4-8-14(13)11-15;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1,3-5,7-12H,2,6H2;1-2,10H |
| InChIKey |
CHAKASWHLLWUIP-UHFFFAOYSA-N |
| Molecular Weight |
423.381 g/mol |
| SMILES |
N(=O)(=O)C1=CC(=C(C(=C1)N(=O)=O)O)N(=O)=O.C1=CC(C=2C=CC3=C(C=CC=C3)C2)CC1 |
| Spectrum/Structure Validation Score (Raman) |
0.857317 |
