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Methyl pentanoylglycinate
SpectraBase Compound ID IPSwFVSz2O8
InChI InChI=1S/C8H15NO3/c1-3-4-5-7(10)9-6-8(11)12-2/h3-6H2,1-2H3,(H,9,10)
InChIKey XPKSXAOQLADAFH-UHFFFAOYSA-N
Mol Weight 173.21 g/mol
Molecular Formula C8H15NO3
Exact Mass 173.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lq2MQKUtSzi
Name Methyl pentanoylglycinate
Appearance Colorless oil
Carrier Gas Argon
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H15NO3
InChI InChI=1S/C8H15NO3/c1-3-4-5-7(10)9-6-8(11)12-2/h3-6H2,1-2H3,(H,9,10)
InChIKey XPKSXAOQLADAFH-UHFFFAOYSA-N
Instrument Name AMD 402
Ionization Type EI
Literature Reference DOI 10.1002/anie.202200062
Quality 305
Reported Formula C8H15NO3
SMILES N(C(CCCC)=O)CC(OC)=O
SPLASH splash10-053u-9600000000-1e4fc763848beb195dbd
Source of Spectrum ACI-61-SM50-7g (DOI: 10.1002/anie.202200062)
Thin-Layer Chromatography 0.1 (pentane/EA, 5:1)
Wiley ID 1897659