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3-Indoleacetic acid
SpectraBase Compound ID 4IVbhzu0VSF
InChI InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)
InChIKey SEOVTRFCIGRIMH-UHFFFAOYSA-N
Mol Weight 175.19 g/mol
Molecular Formula C10H9NO2
Exact Mass 175.063329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID k0bBWX7KUx
Name Indoleacetic acid
Source of Sample Sigma-Aldrich Cat. #45533
CAS Registry Number 87-51-4
Classification Pesticides: Plant growth regulators
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 175.063328532 u
Formula C10H9NO2
InChI InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)
InChIKey SEOVTRFCIGRIMH-UHFFFAOYSA-N
Molecular Weight 175.187 g/mol
Number of Peaks 46
RI1 1883
SMILES [nH]1c2c(c(CC(=O)O)c1)cccc2
SPLASH splash10-001i-2900000000-afea2366ef6c41dcf417
Sample Comments RI1: measured on SLB-5ms (Alkanes) RI2: measured on Equity-1 (Alkanes)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 1H-Indole-3-acetic acid
Wiley ID LM_PEST_478