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1H-Indole-3-acetic acid, 2-(1-oxo-5-hexynyl)-, methyl ester
SpectraBase Compound ID Hskr8qdM9dS
InChI InChI=1S/C17H17NO3/c1-3-4-5-10-15(19)17-13(11-16(20)21-2)12-8-6-7-9-14(12)18-17/h1,6-9,18H,4-5,10-11H2,2H3
InChIKey BSXHSLZFRAJNSM-UHFFFAOYSA-N
Mol Weight 283.33 g/mol
Molecular Formula C17H17NO3
Exact Mass 283.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KC0DbGZYxIB
Name 1H-Indole-3-acetic acid, 2-(1-oxo-5-hexynyl)-, methyl ester
Alternate Name(s) Methyl 2-(hex-5-ynoyl)indol-3-ylacetate Methyl[2-(5-hexynoyl)-1H-indol-3-yl]acetate
CAS Registry Number 119837-89-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17NO3
InChI InChI=1S/C17H17NO3/c1-3-4-5-10-15(19)17-13(11-16(20)21-2)12-8-6-7-9-14(12)18-17/h1,6-9,18H,4-5,10-11H2,2H3
InChIKey BSXHSLZFRAJNSM-UHFFFAOYSA-N
Molecular Weight 283.327 g/mol
SMILES [nH]1c2c(c(c1C(=O)CCCC#C)CC(=O)OC)cccc2
SPLASH splash10-001i-0090000000-255c5d60e59c69f64094
Source of Spectrum KC-1988-3253-7
Wiley ID 1287086