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1H-Pyrrole-3-propanoic acid, 5-benzyloxycarbonyl-2-t-butoxycarbonyl-4-methyl-, methyl ester
SpectraBase Compound ID EcRcJLKJlO
InChI InChI=1S/C22H27NO6/c1-14-16(11-12-17(24)27-5)19(21(26)29-22(2,3)4)23-18(14)20(25)28-13-15-9-7-6-8-10-15/h6-10,23H,11-13H2,1-5H3
InChIKey YXILRQVCJGIXBG-UHFFFAOYSA-N
Mol Weight 401.46 g/mol
Molecular Formula C22H27NO6
Exact Mass 401.183838 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2jn3Saf6oK
Name 1H-Pyrrole-3-propanoic acid, 5-benzyloxycarbonyl-2-t-butoxycarbonyl-4-methyl-, methyl ester
CAS Registry Number 31837-46-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27NO6
InChI InChI=1S/C22H27NO6/c1-14-16(11-12-17(24)27-5)19(21(26)29-22(2,3)4)23-18(14)20(25)28-13-15-9-7-6-8-10-15/h6-10,23H,11-13H2,1-5H3
InChIKey YXILRQVCJGIXBG-UHFFFAOYSA-N
Molecular Weight 401.459 g/mol
SMILES [nH]1c(c(c(c1C(=O)OCc1ccccc1)C)CCC(=O)OC)C(=O)OC(C)(C)C
SPLASH splash10-0f77-6497100000-f6e0bda5e5fcf1d5e279
Synonyms 3-(3-keto-3-methoxy-propyl)-4-methyl-1H-pyrrole-2,5-dicarboxylic acid O5-benzyl ester O2-tert-butyl ester 3-(3-Methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2,5-dicarboxylic acid O2-tert-butyl ester O5-(phenylmethyl) ester 5-Benzyl 2-tert-butyl 3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2,5-dicarboxylate 5-O-benzyl 2-O-tert-butyl 3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2,5-dicarboxylate O2-tert-butyl O5-(phenylmethyl) 3-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-1H-pyrrole-2,5-dicarboxylate O5-benzyl O2-tert-butyl 3-(3-methoxy-3-oxo-propyl)-4-methyl-1H-pyrrole-2,5-dicarboxylate
Wiley ID 1477992