SpectraBase Compound ID | BMiFPMcdSCf |
---|---|
InChI | InChI=1S/C9H16O2/c1-7(2)5-6-8(3)11-9(4)10/h8H,1,5-6H2,2-4H3 |
InChIKey | LPUVJRVSBZNREN-UHFFFAOYSA-N |
Mol Weight | 156.22 g/mol |
Molecular Formula | C9H16O2 |
Exact Mass | 156.11503 g/mol |
SpectraBase Spectrum ID | GL9TMhbyS0q |
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Name | Acetic acid, 1,4-dimethylpent-4-enyl ester |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 156.115029753 u |
Formula | C9H16O2 |
InChI | InChI=1S/C9H16O2/c1-7(2)5-6-8(3)11-9(4)10/h8H,1,5-6H2,2-4H3 |
InChIKey | LPUVJRVSBZNREN-UHFFFAOYSA-N |
Molecular Weight | 156.225 g/mol |
SMILES | C=C(CCC(OC(C)=O)C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.922479 |