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3H-Indole-2-acetic acid, 5,7-bis(1,1-dimethylethyl)-3,3-dimethyl-.alpha.-oxo-, methyl ester
SpectraBase Compound ID ERSsvES0TtQ
InChI InChI=1S/C21H29NO3/c1-19(2,3)12-10-13(20(4,5)6)15-14(11-12)21(7,8)17(22-15)16(23)18(24)25-9/h10-11H,1-9H3
InChIKey HOLROAQLIDFWOO-UHFFFAOYSA-N
Mol Weight 343.47 g/mol
Molecular Formula C21H29NO3
Exact Mass 343.214744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7BUSRgDNmoa
Name 3H-Indole-2-acetic acid, 5,7-bis(1,1-dimethylethyl)-3,3-dimethyl-.alpha.-oxo-, methyl ester
Alternate Name(s) Methyl (5,7-di-tert-butyl-3,3-dimethyl-3H-indol-2-yl)glyoxylate Methyl (5,7-ditert-butyl-3,3-dimethyl-3H-indol-2-yl)(oxo)acetate
CAS Registry Number 95835-99-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29NO3
InChI InChI=1S/C21H29NO3/c1-19(2,3)12-10-13(20(4,5)6)15-14(11-12)21(7,8)17(22-15)16(23)18(24)25-9/h10-11H,1-9H3
InChIKey HOLROAQLIDFWOO-UHFFFAOYSA-N
Molecular Weight 343.467 g/mol
SMILES C1(=Nc2c(cc(cc2C1(C)C)C(C)(C)C)C(C)(C)C)C(C(=O)OC)=O
SPLASH splash10-0f96-0094000000-a50a84c2e5bb63e1989d
Source of Spectrum K-118-521-16
Wiley ID 1337408