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2-CARBOBENZOXY-3,5-DIMETHYL-PYRROL-4-PROPIONSAEUREMETHYLESTER
SpectraBase Compound ID 6PwrM2mp6SH
InChI InChI=1S/C18H21NO4/c1-12-15(9-10-16(20)22-3)13(2)19-17(12)18(21)23-11-14-7-5-4-6-8-14/h4-8,19H,9-11H2,1-3H3
InChIKey KCXNIAMRWFWMOX-UHFFFAOYSA-N
Mol Weight 315.37 g/mol
Molecular Formula C18H21NO4
Exact Mass 315.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7iCnBYTomaL
Name (phenylmethyl) 4-(3-methoxy-3-oxidanylidene-propyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Alternate Name(s) 4-(3-keto-3-methoxy-propyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester 4-(3-Methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester benzyl 4-(3-methoxy-3-oxo-propyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
CAS Registry Number 20303-31-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21NO4
InChI InChI=1S/C18H21NO4/c1-12-15(9-10-16(20)22-3)13(2)19-17(12)18(21)23-11-14-7-5-4-6-8-14/h4-8,19H,9-11H2,1-3H3
InChIKey KCXNIAMRWFWMOX-UHFFFAOYSA-N
Molecular Weight 315.369 g/mol
SMILES [nH]1c(c(c(c1C(OCc1ccccc1)=O)C)CCC(=O)OC)C
SPLASH splash10-00kf-8098000000-d88a6381f1cddecb9bd3
Source of Spectrum KC-1985-1702-25
Wiley ID 1316036