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1H-Indole-3-acetic acid, 2-(1-oxo-5-hexynyl)-
SpectraBase Compound ID 1qNh9EpClcW
InChI InChI=1S/C16H15NO3/c1-2-3-4-9-14(18)16-12(10-15(19)20)11-7-5-6-8-13(11)17-16/h1,5-8,17H,3-4,9-10H2,(H,19,20)
InChIKey DNBNYCMKWKWDQF-UHFFFAOYSA-N
Mol Weight 269.3 g/mol
Molecular Formula C16H15NO3
Exact Mass 269.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GPBCq5Jtx4A
Name 1H-Indole-3-acetic acid, 2-(1-oxo-5-hexynyl)-
CAS Registry Number 116705-68-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15NO3
InChI InChI=1S/C16H15NO3/c1-2-3-4-9-14(18)16-12(10-15(19)20)11-7-5-6-8-13(11)17-16/h1,5-8,17H,3-4,9-10H2,(H,19,20)
InChIKey DNBNYCMKWKWDQF-UHFFFAOYSA-N
Molecular Weight 269.300 g/mol
SMILES [nH]1c2c(c(CC(=O)O)c1C(=O)CCCC#C)cccc2
SPLASH splash10-01di-0490000000-aee97d25c34fb6a09854
Source of Spectrum KC-1988-3253-8
Synonyms 2-(hex-5-ynoyl)indol-3-ylacetic acid [2-(5-hexynoyl)-1H-indol-3-yl]acetic acid
Wiley ID 1273308