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1H-Indole-3-acetic acid, 2-(1-oxo-7-octynyl)-
SpectraBase Compound ID GOQlwUnheAR
InChI InChI=1S/C18H19NO3/c1-2-3-4-5-6-11-16(20)18-14(12-17(21)22)13-9-7-8-10-15(13)19-18/h1,7-10,19H,3-6,11-12H2,(H,21,22)
InChIKey JQJPOSPZAXRIAR-UHFFFAOYSA-N
Mol Weight 297.35 g/mol
Molecular Formula C18H19NO3
Exact Mass 297.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2TZvpJTCg3N
Name 1H-Indole-3-acetic acid, 2-(1-oxo-7-octynyl)-
Alternate Name(s) 2-(oct-7-ynoyl)indol-3-ylacetic acid [2-(7-octynoyl)-1H-indol-3-yl]acetic acid
CAS Registry Number 119837-91-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19NO3
InChI InChI=1S/C18H19NO3/c1-2-3-4-5-6-11-16(20)18-14(12-17(21)22)13-9-7-8-10-15(13)19-18/h1,7-10,19H,3-6,11-12H2,(H,21,22)
InChIKey JQJPOSPZAXRIAR-UHFFFAOYSA-N
Molecular Weight 297.354 g/mol
SMILES [nH]1c2c(c(CC(=O)O)c1C(=O)CCCCCC#C)cccc2
SPLASH splash10-052b-0790000000-d1f5ce68d044f82524bb
Source of Spectrum KC-1988-3253-8
Wiley ID 1300255