SpectraBase Compound ID | HcmxFUNlroX |
---|---|
InChI | InChI=1S/C10H18O2/c1-3-5-6-8-7-9(8)10(11)12-4-2/h8-9H,3-7H2,1-2H3 |
InChIKey | FSKXIOLMBKQOCD-UHFFFAOYSA-N |
Mol Weight | 170.25 g/mol |
Molecular Formula | C10H18O2 |
Exact Mass | 170.13068 g/mol |
SpectraBase Spectrum ID | 4JBamL3TL5t |
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Name | 2-Butyl-1-cyclopropanecarboxylic acid ethyl ester |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 170.130679818 u |
Formula | C10H18O2 |
InChI | InChI=1S/C10H18O2/c1-3-5-6-8-7-9(8)10(11)12-4-2/h8-9H,3-7H2,1-2H3 |
InChIKey | FSKXIOLMBKQOCD-UHFFFAOYSA-N |
Molecular Weight | 170.252 g/mol |
SMILES | C1(C(C1)C(=O)OCC)CCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.979577 |