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3-(3-Methoxy-3-oxidanylidene-propyl)-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic acid
SpectraBase Compound ID L4vx944SBHt
InChI InChI=1S/C18H19NO6/c1-11-13(8-9-14(20)24-2)16(17(21)22)19-15(11)18(23)25-10-12-6-4-3-5-7-12/h3-7,19H,8-10H2,1-2H3,(H,21,22)
InChIKey FJUWOZLJVXLJDO-UHFFFAOYSA-N
Mol Weight 345.35 g/mol
Molecular Formula C18H19NO6
Exact Mass 345.121237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HbcfFNM6sD7
Name 3-(3-Methoxy-3-oxidanylidene-propyl)-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic acid
Alternate Name(s) 3-(3-Methoxy-3-oxopropyl)-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic acid 5-Benzyloxycarbonyl-3-(3-methoxy-3-oxo-propyl)-4-methyl-1H-pyrrole-2-carboxylic acid 5-carbobenzoxy-3-(3-keto-3-methoxy-propyl)-4-methyl-1H-pyrrole-2-carboxylic acid
CAS Registry Number 978-24-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19NO6
InChI InChI=1S/C18H19NO6/c1-11-13(8-9-14(20)24-2)16(17(21)22)19-15(11)18(23)25-10-12-6-4-3-5-7-12/h3-7,19H,8-10H2,1-2H3,(H,21,22)
InChIKey FJUWOZLJVXLJDO-UHFFFAOYSA-N
Molecular Weight 345.351 g/mol
SMILES [nH]1c(C(=O)O)c(c(C)c1C(OCc1ccccc1)=O)CCC(=O)OC
SPLASH splash10-0006-9001000000-f1c7836fd3161c8726fc
Source of Spectrum KC-1985-1702-0
Wiley ID 1338623