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(6-Methylpyridin-3-yl)methyl pentanoate
SpectraBase Compound ID 875ClaTQvrO
InChI InChI=1S/C12H17NO2/c1-3-4-5-12(14)15-9-11-7-6-10(2)13-8-11/h6-8H,3-5,9H2,1-2H3
InChIKey KZRHXEOTUPEPRM-UHFFFAOYSA-N
Mol Weight 207.27 g/mol
Molecular Formula C12H17NO2
Exact Mass 207.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 59zknHOhiRj
Name (6-Methylpyridin-3-yl)methyl pentanoate
Appearance Brown-orange oil
Carrier Gas Argon
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 207.125928789 u
Formula C12H17NO2
GC Column HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C12H17NO2/c1-3-4-5-12(14)15-9-11-7-6-10(2)13-8-11/h6-8H,3-5,9H2,1-2H3
InChIKey KZRHXEOTUPEPRM-UHFFFAOYSA-N
Instrument Name Agilent HP-7890A-AMD 402
Ionization Type EI
Literature Reference DOI 10.1002/anie.202211939
Molecular Weight 207.273 g/mol
Quality 294
Reported Formula C12H17NO2
SMILES CC1=CC=C(C=N1)COC(CCCC)=O
SPLASH splash10-0a4i-2900000000-842848fd8e2eb898af67
Source of Spectrum ACI-61-SM45-58 (DOI: 10.1002/anie.202211939)
Wiley ID 1899572