| SpectraBase Spectrum ID |
HM1NOTXHcg0 |
| Name |
5-Chloro-2,4-dimethoxy-6-methyl-3-(3-methylbut-2-enyl)benzoic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.112836852 u |
| Formula |
C16H21ClO4 |
| InChI |
InChI=1S/C16H21ClO4/c1-9(2)7-8-11-14(19-4)12(16(18)21-6)10(3)13(17)15(11)20-5/h7H,8H2,1-6H3 |
| InChIKey |
DZFRHVUZXUEQKO-UHFFFAOYSA-N |
| Molecular Weight |
312.793 g/mol |
| SMILES |
C1(=C(C(CC=C(C)C)=C(C(=C1C)Cl)OC)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902366 |
