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4-carbamoyl-5-methylhexanoic acid methyl ester

View entire compound with spectra: 2 MS (GC)

4-carbamoyl-5-methylhexanoic acid methyl ester
SpectraBase Compound ID IVYvWnNxNPf
InChI InChI=1S/C9H17NO3/c1-6(2)7(9(10)12)4-5-8(11)13-3/h6-7H,4-5H2,1-3H3,(H2,10,12)
InChIKey DYOAYKGSXWZNBH-UHFFFAOYSA-N
Mol Weight 187.24 g/mol
Molecular Formula C9H17NO3
Exact Mass 187.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HTQDPpSZbw2
Name 4-carbamoyl-5-methylhexanoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H17NO3
InChI InChI=1S/C9H17NO3/c1-6(2)7(9(10)12)4-5-8(11)13-3/h6-7H,4-5H2,1-3H3,(H2,10,12)
InChIKey DYOAYKGSXWZNBH-UHFFFAOYSA-N
Molecular Weight 187.239 g/mol
SMILES NC(C(CCC(OC)=O)C(C)C)=O
SPLASH splash10-00dl-9400000000-89a5b1d44a41434666ea
Synonyms Methyl 4-aminocarbonyl-5-methyl-hexanoate Methyl 4-carbamoyl-5-methyl-hexanoate Methyl 4-carbamoyl-5-methylhexanoate
Wiley ID 1487403