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3-(tert-butylcarbamoyl)benzoic acid methyl ester
SpectraBase Compound ID EmYkZeyC6vM
InChI InChI=1S/C13H17NO3/c1-13(2,3)14-11(15)9-6-5-7-10(8-9)12(16)17-4/h5-8H,1-4H3,(H,14,15)
InChIKey YXZZDZFSFUGLOU-UHFFFAOYSA-N
Mol Weight 235.28 g/mol
Molecular Formula C13H17NO3
Exact Mass 235.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4QemcUKisfl
Name 3-(tert-butylcarbamoyl)benzoic acid methyl ester
Alternate Name(s) 3-[(tert-butylamino)-oxomethyl]benzoic acid methyl ester Methyl 3-(tert-butylcarbamoyl)benzoate
CAS Registry Number 67852-99-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO3
InChI InChI=1S/C13H17NO3/c1-13(2,3)14-11(15)9-6-5-7-10(8-9)12(16)17-4/h5-8H,1-4H3,(H,14,15)
InChIKey YXZZDZFSFUGLOU-UHFFFAOYSA-N
Molecular Weight 235.283 g/mol
SMILES N(C(c1cc(C(=O)OC)ccc1)=O)C(C)(C)C
SPLASH splash10-03di-0930000000-847b4ca906d4b32acb45
Source of Spectrum I-56-1567-0
Wiley ID 1237097