| SpectraBase Spectrum ID |
KdboHGSIvyj |
| Name |
Diethyl 3-methyl-4-(4-bromophenethyl)cyclopent-2-ene-1,1-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.093622281 u |
| Formula |
C20H25BrO4 |
| InChI |
InChI=1S/C20H25BrO4/c1-4-24-18(22)20(19(23)25-5-2)12-14(3)16(13-20)9-6-15-7-10-17(21)11-8-15/h7-8,10-12,16H,4-6,9,13H2,1-3H3 |
| InChIKey |
GRTCNPYOYVRGRW-UHFFFAOYSA-N |
| Molecular Weight |
409.320 g/mol |
| SMILES |
C1(C=C(C(C1)CCC=1C=CC(=CC1)Br)C)(C(=O)OCC)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954952 |
