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3-Methyl-3-(3-(methoxycarbonyl)butyl)indol-2(3H)-one isomer
SpectraBase Compound ID CRna6e2nqOm
InChI InChI=1S/C15H19NO3/c1-15(2,14(18)19-3)9-8-11-10-6-4-5-7-12(10)16-13(11)17/h4-7,11H,8-9H2,1-3H3,(H,16,17)
InChIKey MIRJCTGLPMUDPY-UHFFFAOYSA-N
Mol Weight 261.32 g/mol
Molecular Formula C15H19NO3
Exact Mass 261.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HS7bFsJBIvk
Name 3-Methyl-3-(3-(methoxycarbonyl)butyl)indol-2(3H)-one isomer
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Formula C15H19NO3
InChI InChI=1S/C15H19NO3/c1-15(2,14(18)19-3)9-8-11-10-6-4-5-7-12(10)16-13(11)17/h4-7,11H,8-9H2,1-3H3,(H,16,17)
InChIKey MIRJCTGLPMUDPY-UHFFFAOYSA-N
Molecular Weight 261.321 g/mol
SMILES N1c2ccccc2C(C1=O)CCC(C(=O)OC)(C)C
SPLASH splash10-0002-1910000000-0bed2fa7113ca7a8ae33
Source of Spectrum F-47-4924-5
Synonyms Methyl 2,2-dimethyl-4-(2-oxo-2,3-dihydro-1H-indol-3-yl)butanoate
Wiley ID 1264848