| SpectraBase Spectrum ID |
EcWdpu6elC4 |
| Name |
Cyclohexanecarboxylic acid, 1-(1-bromocyclohexylcarbonyl)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.083057598 u |
| Formula |
C15H23BrO3 |
| InChI |
InChI=1S/C15H23BrO3/c1-19-13(18)14(8-4-2-5-9-14)12(17)15(16)10-6-3-7-11-15/h2-11H2,1H3 |
| InChIKey |
DFOVZXUMFZJKIK-UHFFFAOYSA-N |
| Molecular Weight |
331.250 g/mol |
| SMILES |
C1(C(C2(Br)CCCCC2)=O)(C(=O)OC)CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881919 |
