| SpectraBase Spectrum ID |
HXAQDRnUOtJ |
| Name |
[5-(4-Bromophenyl)-6-oxidanylidene-2,3-dihydropyran-2-yl]methyl 4-chloranylbenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
419.976399627 u |
| Formula |
C19H14BrClO4 |
| InChI |
InChI=1S/C19H14BrClO4/c20-14-5-1-12(2-6-14)17-10-9-16(25-19(17)23)11-24-18(22)13-3-7-15(21)8-4-13/h1-8,10,16H,9,11H2 |
| InChIKey |
QDSLWKDIIMBEGG-UHFFFAOYSA-N |
| Molecular Weight |
421.674 g/mol |
| SMILES |
C1(C(=CCC(O1)COC(C=1C=CC(=CC1)Cl)=O)C1=CC=C(C=C1)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955097 |
![[5-(4-Bromophenyl)-6-oxidanylidene-2,3-dihydropyran-2-yl]methyl 4-chloranylbenzoate](/api/spectrum/HXAQDRnUOtJ/structure.png?h=300&w=458 "[5-(4-Bromophenyl)-6-oxidanylidene-2,3-dihydropyran-2-yl]methyl 4-chloranylbenzoate")
