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Propanedioic acid, 1H-indol-2-yl-, bis(1-methylethyl) ester
SpectraBase Compound ID 7nBdPoOZfDi
InChI InChI=1S/C17H21NO4/c1-10(2)21-16(19)15(17(20)22-11(3)4)14-9-12-7-5-6-8-13(12)18-14/h5-11,15,18H,1-4H3
InChIKey GQXUGQXEUBDCHC-UHFFFAOYSA-N
Mol Weight 303.36 g/mol
Molecular Formula C17H21NO4
Exact Mass 303.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GRwQJb461AQ
Name Propanedioic acid, 1H-indol-2-yl-, bis(1-methylethyl) ester
Alternate Name(s) diisopropyl 2-(1H-indol-2-yl)malonate Diisopropyl 2-(1H-indol-2-yl)propandioate
CAS Registry Number 122419-64-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO4
InChI InChI=1S/C17H21NO4/c1-10(2)21-16(19)15(17(20)22-11(3)4)14-9-12-7-5-6-8-13(12)18-14/h5-11,15,18H,1-4H3
InChIKey GQXUGQXEUBDCHC-UHFFFAOYSA-N
Molecular Weight 303.358 g/mol
SMILES [nH]1c2ccccc2cc1C(C(OC(C)C)=O)C(OC(C)C)=O
SPLASH splash10-106u-3945000000-5f7e29cff3c0ed5a0b5e
Source of Spectrum H-71-2039-11
Wiley ID 1305653