| SpectraBase Compound ID | 1lkmzCS2NK7 |
|---|---|
| InChI | InChI=1S/C10H19BrO2/c1-3-4-5-6-7-8-13-10(12)9(2)11/h9H,3-8H2,1-2H3 |
| InChIKey | XOLHAEPYINTAFR-UHFFFAOYSA-N |
| Mol Weight | 251.16 g/mol |
| Molecular Formula | C10H19BrO2 |
| Exact Mass | 250.056843 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4YFme7nWbnq |
|---|---|
| Name | 2- Bromopropionic acid, heptyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.056842850 u |
| Formula | C10H19BrO2 |
| InChI | InChI=1S/C10H19BrO2/c1-3-4-5-6-7-8-13-10(12)9(2)11/h9H,3-8H2,1-2H3 |
| InChIKey | XOLHAEPYINTAFR-UHFFFAOYSA-N |
| Molecular Weight | 251.164 g/mol |
| SMILES | C(=O)(OCCCCCCC)C(C)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942994 |