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2-(benzylamino)-4-chloro-3,3-dimethyl-butyric acid methyl ester
SpectraBase Compound ID JYhgcOLrecJ
InChI InChI=1S/C14H20ClNO2/c1-14(2,10-15)12(13(17)18-3)16-9-11-7-5-4-6-8-11/h4-8,12,16H,9-10H2,1-3H3
InChIKey KJTBUFODCZSFLB-UHFFFAOYSA-N
Mol Weight 269.77 g/mol
Molecular Formula C14H20ClNO2
Exact Mass 269.118257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 40N5Z3K0Sni
Name 2-(benzylamino)-4-chloro-3,3-dimethyl-butyric acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20ClNO2
InChI InChI=1S/C14H20ClNO2/c1-14(2,10-15)12(13(17)18-3)16-9-11-7-5-4-6-8-11/h4-8,12,16H,9-10H2,1-3H3
InChIKey KJTBUFODCZSFLB-UHFFFAOYSA-N
Molecular Weight 269.772 g/mol
SMILES N(C(C(=O)OC)C(CCl)(C)C)Cc1ccccc1
SPLASH splash10-0006-9200000000-b4429619a30bb144a4cf
Source of Spectrum J-59-6985-33
Synonyms 4-Chloro-3,3-dimethyl-2-[(phenylmethyl)amino]butanoic acid methyl ester Methyl 2-(benzylamino)-4-chloro-3,3-dimethyl-butanoate Methyl 4-chloranyl-3,3-dimethyl-2-[(phenylmethyl)amino]butanoate
Wiley ID 1273133