| SpectraBase Spectrum ID |
252X7k0DigU |
| Name |
1,8-Naphthalenedicarboxylic acid, 3-chloro-2,4,7-trimethoxy-5-methyl-, dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.081930645 u |
| Formula |
C18H19ClO7 |
| InChI |
InChI=1S/C18H19ClO7/c1-8-7-9(22-2)11(17(20)25-5)12-10(8)15(23-3)14(19)16(24-4)13(12)18(21)26-6/h7H,1-6H3 |
| InChIKey |
QFFLTKZXDGQPJS-UHFFFAOYSA-N |
| Molecular Weight |
382.796 g/mol |
| SMILES |
C1(=C2C(=C(OC)C=C(C2=C(C(=C1OC)Cl)OC)C)C(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953088 |
