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Tert-Butyl Ester of (S)-2-[2-(4-Bromophenyl)-5-methyl-1H-pyrrol-1-yl]propionic Acid
SpectraBase Compound ID JT5SRwX140n
InChI InChI=1S/C18H22BrNO2/c1-12-6-11-16(14-7-9-15(19)10-8-14)20(12)13(2)17(21)22-18(3,4)5/h6-11,13H,1-5H3/t13-/m0/s1
InChIKey WKZSNCZHAPRZAT-ZDUSSCGKSA-N
Mol Weight 364.28 g/mol
Molecular Formula C18H22BrNO2
Exact Mass 363.083392 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1tJtiXnOYS
Name Tert-Butyl Ester of (S)-2-[2-(4-Bromophenyl)-5-methyl-1H-pyrrol-1-yl]propionic Acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22BrNO2
InChI InChI=1S/C18H22BrNO2/c1-12-6-11-16(14-7-9-15(19)10-8-14)20(12)13(2)17(21)22-18(3,4)5/h6-11,13H,1-5H3/t13-/m0/s1
InChIKey WKZSNCZHAPRZAT-ZDUSSCGKSA-N
Molecular Weight 364.283 g/mol
SMILES c1([n](c(cc1)C)[C@](C(OC(C)(C)C)=O)(C)[H])-c1ccc(cc1)Br
SPLASH splash10-014i-3596000000-6cc29f161c2faeec535b
Source of Spectrum HC-47-192-4g
Synonyms Tert-Butyl Ester of 2-[2-(4-Bromophenyl)-5-methyl-1H-pyrrol-1-yl]propionic Acid (S)-tert-butyl 2-(2-(4-bromophenyl)-5-methyl-1H-pyrrol-1-yl)propanoate
Wiley ID 1734047