SpectraBase Compound ID | ApXIdLq9H8M |
---|---|
InChI | InChI=1S/C8H16O3/c1-3-5-7-11-8(9)10-6-4-2/h3-7H2,1-2H3 |
InChIKey | VASVAWIFVXAQMI-UHFFFAOYSA-N |
Mol Weight | 160.21 g/mol |
Molecular Formula | C8H16O3 |
Exact Mass | 160.109944 g/mol |
SpectraBase Spectrum ID | AUdCSIhKySM |
---|---|
Name | Carbonic acid, butyl propyl ester |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 160.109944372 u |
Formula | C8H16O3 |
InChI | InChI=1S/C8H16O3/c1-3-5-7-11-8(9)10-6-4-2/h3-7H2,1-2H3 |
InChIKey | VASVAWIFVXAQMI-UHFFFAOYSA-N |
Molecular Weight | 160.213 g/mol |
SMILES | CCCOC(OCCCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.887264 |