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1H-Pyrrole-3-carboxylic acid, 2,5-Dihydro-4-pentyl-, Ethyl ester, Monohydrochloride

View entire compound with spectra: 1 MS (GC)

1H-Pyrrole-3-carboxylic acid, 2,5-Dihydro-4-pentyl-, Ethyl ester, Monohydrochloride
SpectraBase Compound ID 1NJTRdOEWgx
InChI InChI=1S/C12H21NO2.ClH/c1-3-5-6-7-10-8-13-9-11(10)12(14)15-4-2;/h13H,3-9H2,1-2H3;1H
InChIKey WIWKJQZLNROGIG-UHFFFAOYSA-N
Mol Weight 247.77 g/mol
Molecular Formula C12H22ClNO2
Exact Mass 247.133907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9F3fLXgcinN
Name 1H-Pyrrole-3-carboxylic acid, 2,5-Dihydro-4-pentyl-, Ethyl ester, Monohydrochloride
Alternate Name(s) Ethyl 4-pentyl-2,5-dihydro-1H-pyrrole-3-carboxylate hydrochloride
CAS Registry Number 137569-74-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22ClNO2
InChI InChI=1S/C12H21NO2.ClH/c1-3-5-6-7-10-8-13-9-11(10)12(14)15-4-2;/h13H,3-9H2,1-2H3;1H
InChIKey WIWKJQZLNROGIG-UHFFFAOYSA-N
Molecular Weight 247.766 g/mol
SMILES Cl.N1CC(=C(C1)C(=O)OCC)CCCCC
SPLASH splash10-03di-2290000000-f70b9b7814643bae6700
Source of Spectrum F2-35-239-19
Wiley ID 1574256