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4-(tert-butylcarbamoyl)benzoic acid methyl ester
SpectraBase Compound ID 2R3yWN3eqNc
InChI InChI=1S/C13H17NO3/c1-13(2,3)14-11(15)9-5-7-10(8-6-9)12(16)17-4/h5-8H,1-4H3,(H,14,15)
InChIKey VASLEASMBRLHMM-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 AawRtlG2Ldq
Name 4-(tert-butylcarbamoyl)benzoic acid methyl ester
CAS Registry Number 67852-98-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO3
InChI InChI=1S/C13H17NO3/c1-13(2,3)14-11(15)9-5-7-10(8-6-9)12(16)17-4/h5-8H,1-4H3,(H,14,15)
InChIKey VASLEASMBRLHMM-UHFFFAOYSA-N
Molecular Weight 235.283 g/mol
SMILES N(C(c1ccc(C(=O)OC)cc1)=O)C(C)(C)C
SPLASH splash10-01wr-0890000000-db2b243b0fee47836079
Source of Spectrum I-56-1567-0
Synonyms Methyl 4-(tert-Butylcarbamoyl)benzoate 4-[(tert-butylamino)-oxomethyl]benzoic acid methyl ester
Wiley ID 1237098