| SpectraBase Spectrum ID |
4dzUsnDqcBr |
| Name |
[6-Chloranyl-5,8-dimethoxy-4-(methoxymethoxy)-3-(4-methylpent-2-ynoyl)naphthalen-2-yl]methyl benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
510.144530902 u |
| Formula |
C28H27ClO7 |
| InChI |
InChI=1S/C28H27ClO7/c1-17(2)11-12-22(30)24-19(15-35-28(31)18-9-7-6-8-10-18)13-20-23(33-4)14-21(29)26(34-5)25(20)27(24)36-16-32-3/h6-10,13-14,17H,15-16H2,1-5H3 |
| InChIKey |
RWERXFABBLIZMC-UHFFFAOYSA-N |
| Molecular Weight |
510.970 g/mol |
| SMILES |
C=12C(C=C(C(=C2OCOC)C(C#CC(C)C)=O)COC(=O)C2=CC=CC=C2)=C(OC)C=C(C1OC)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963085 |
![[6-Chloranyl-5,8-dimethoxy-4-(methoxymethoxy)-3-(4-methylpent-2-ynoyl)naphthalen-2-yl]methyl benzoate](/api/spectrum/4dzUsnDqcBr/structure.png?h=300&w=458 "[6-Chloranyl-5,8-dimethoxy-4-(methoxymethoxy)-3-(4-methylpent-2-ynoyl)naphthalen-2-yl]methyl benzoate")
