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anhranilic acid, cyclohexyl ester
SpectraBase Compound ID Fwa6qvzQqNt
InChI InChI=1S/C13H17NO2/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7,14H2
InChIKey KFEZETDKFSMLMG-UHFFFAOYSA-N
Mol Weight 219.28 g/mol
Molecular Formula C13H17NO2
Exact Mass 219.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 40BCCVphKa
Name Cyclohexyl anthranilate
CAS Registry Number 7779-16-0
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 219.125928789 u
Formula C13H17NO2
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness)
GC Oven Program 60 °C to 246 °C at 3 °C/min.
InChI InChI=1S/C13H17NO2/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7,14H2
InChIKey KFEZETDKFSMLMG-UHFFFAOYSA-N
Molecular Weight 219.284 g/mol
Nominal Mass 219 u
Number of Peaks 93
SMILES Nc1c(C(OC2CCCCC2)=O)cccc1
SPLASH splash10-014r-4900000000-c71e0947483aee9a2acc
Source ex BEDOUKIAN RES.
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA000427