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Methyl 4-(hydroxymethyl)cyclohexanecarboxylate

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Methyl 4-(hydroxymethyl)cyclohexanecarboxylate
SpectraBase Compound ID KyAiDxtk9lU
InChI InChI=1S/C9H16O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h7-8,10H,2-6H2,1H3
InChIKey KOGYKIDJFOMAOF-UHFFFAOYSA-N
Mol Weight 172.22 g/mol
Molecular Formula C9H16O3
Exact Mass 172.109944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5Mm35A0Cs71
Name cis-4-(Hydroxymethyl)cyclohexanecarboxylic acid, methyl ester
Comments Computed using SmartSpectra Model v1.42
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Exact Mass 172.109944372 u
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h7-8,10H,2-6H2,1H3
InChIKey KOGYKIDJFOMAOF-UHFFFAOYSA-N
Molecular Weight 172.224 g/mol
SMILES C1(CCC(CC1)CO)C(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.899297