| SpectraBase Spectrum ID |
D5WeXALJnnK |
| Name |
1(2H)-Naphthalenone, 2-[(2-chloro-5-nitrophenyl)methylene]-3,4-dihydro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.050570947 u |
| Formula |
C17H12ClNO3 |
| InChI |
InChI=1S/C17H12ClNO3/c18-16-8-7-14(19(21)22)10-13(16)9-12-6-5-11-3-1-2-4-15(11)17(12)20/h1-4,7-10H,5-6H2/b12-9- |
| InChIKey |
IEOMPXMMHDTLRB-XFXZXTDPSA-N |
| Molecular Weight |
313.740 g/mol |
| SMILES |
C1=CC=2CC\C(=C\C=3C=C(N(=O)=O)C=CC3Cl)C(C2C=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933705 |
![1(2H)-Naphthalenone, 2-[(2-chloro-5-nitrophenyl)methylene]-3,4-dihydro-](/api/spectrum/D5WeXALJnnK/structure.png?h=300&w=458 "1(2H)-Naphthalenone, 2-[(2-chloro-5-nitrophenyl)methylene]-3,4-dihydro-")
