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2-Propenoic acid, 3-[[2-(1H-indol-3-yl)ethyl]amino]-, 1,1-dimethylethyl ester, (E)-
SpectraBase Compound ID FEtihrrI0tS
InChI InChI=1S/C17H22N2O2/c1-17(2,3)21-16(20)9-11-18-10-8-13-12-19-15-7-5-4-6-14(13)15/h4-7,9,11-12,18-19H,8,10H2,1-3H3/b11-9+
InChIKey RTJOFNLNRFLDON-PKNBQFBNSA-N
Mol Weight 286.37 g/mol
Molecular Formula C17H22N2O2
Exact Mass 286.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kp7NxtxH4Qg
Name 2-Propenoic acid, 3-[[2-(1H-indol-3-yl)ethyl]amino]-, 1,1-dimethylethyl ester, (E)-
CAS Registry Number 78229-20-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N2O2
InChI InChI=1S/C17H22N2O2/c1-17(2,3)21-16(20)9-11-18-10-8-13-12-19-15-7-5-4-6-14(13)15/h4-7,9,11-12,18-19H,8,10H2,1-3H3/b11-9+
InChIKey RTJOFNLNRFLDON-PKNBQFBNSA-N
Molecular Weight 286.375 g/mol
SMILES [nH]1c2c(c(CCN\C=C\C(OC(C)(C)C)=O)c1)cccc2
SPLASH splash10-001l-0930000000-2f1f23e523dba65280a9
Source of Spectrum K-114-1900-0
Synonyms tert-Butyl (2E)-3-{[2-(1H-indol-3-yl)ethyl]amino}-2-propenoate tert-Butyl ester of 3-[2-(3-indolyl)ethylamino]propenoic acid
Wiley ID 1290060