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Methyl pentanoyl-L-tryptophanate
SpectraBase Compound ID DggrmRiusGd
InChI InChI=1S/C17H22N2O3/c1-3-4-9-16(20)19-15(17(21)22-2)10-12-11-18-14-8-6-5-7-13(12)14/h5-8,11,15,18H,3-4,9-10H2,1-2H3,(H,19,20)/t15-/m0/s1
InChIKey NPXGHUWNCGFQEV-HNNXBMFYSA-N
Mol Weight 302.37 g/mol
Molecular Formula C17H22N2O3
Exact Mass 302.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K6Mn93l1PtF
Name Methyl pentanoyl-L-tryptophanate
Appearance Colorless oil
Carrier Gas Argon
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 302.163042573 u
Formula C17H22N2O3
InChI InChI=1S/C17H22N2O3/c1-3-4-9-16(20)19-15(17(21)22-2)10-12-11-18-14-8-6-5-7-13(12)14/h5-8,11,15,18H,3-4,9-10H2,1-2H3,(H,19,20)/t15-/m0/s1
InChIKey NPXGHUWNCGFQEV-HNNXBMFYSA-N
Instrument Name AMD 402
Ionization Type EI
Literature Reference DOI 10.1002/anie.202200062
Quality 36
Reported Formula C17H22N2O3
SMILES N(C(CCCC)=O)[C@@](CC=1C2=C(C=CC=C2)NC1)(C(OC)=O)[H]
SPLASH splash10-001i-0930000000-0b24821e4d94431c85eb
Source of Spectrum ACI-61-SM51-7i (DOI: 10.1002/anie.202200062)
Thin-Layer Chromatography 0.1 (pentane/EA, 3:1)
Wiley ID 1897661