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1-[(Dimethylamino)methyl]cyclohexaneacetic acid, hydrochloride

View entire compound with spectra: 1 FTIR, and 1 Raman

1-[(Dimethylamino)methyl]cyclohexaneacetic acid, hydrochloride
SpectraBase Compound ID 4lwXToFWDgD
InChI InChI=1S/C11H21NO2.ClH/c1-12(2)9-11(8-10(13)14)6-4-3-5-7-11;/h3-9H2,1-2H3,(H,13,14);1H
InChIKey GCLASFWNWNBQRL-UHFFFAOYSA-N
Mol Weight 235.75 g/mol
Molecular Formula C11H22ClNO2
Exact Mass 235.133907 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 4Opv0oEwJwv
Name 1-[(Dimethylamino)methyl]cyclohexaneacetic acid, hydrochloride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 235.133906650 u
Formula C11H22ClNO2
InChI InChI=1S/C11H21NO2.ClH/c1-12(2)9-11(8-10(13)14)6-4-3-5-7-11;/h3-9H2,1-2H3,(H,13,14);1H
InChIKey GCLASFWNWNBQRL-UHFFFAOYSA-N
Molecular Weight 235.755 g/mol
SMILES Cl.OC(CC1(CCCCC1)CN(C)C)=O
Spectrum/Structure Validation Score (Raman) 0.840105