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Methyl 1-pentyl-1H-indole-3-carboxylate
SpectraBase Compound ID Kwp4dvtb3JL
InChI InChI=1S/C15H19NO2/c1-3-4-7-10-16-11-13(15(17)18-2)12-8-5-6-9-14(12)16/h5-6,8-9,11H,3-4,7,10H2,1-2H3
InChIKey FMSUKWLGFFSMTP-UHFFFAOYSA-N
Mol Weight 245.32 g/mol
Molecular Formula C15H19NO2
Exact Mass 245.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2oRBAdCJqSW
Name PB-22-A ME
Classification Methanolysis product of PB-22
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
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Exact Mass 245.141578854 u
Formula C15H19NO2
InChI InChI=1S/C15H19NO2/c1-3-4-7-10-16-11-13(15(17)18-2)12-8-5-6-9-14(12)16/h5-6,8-9,11H,3-4,7,10H2,1-2H3
InChIKey FMSUKWLGFFSMTP-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 245.322 g/mol
Nominal Mass 245 u
Quality 948
Retention Index 2082
SMILES C=12C(N(C=C2C(OC)=O)CCCCC)=CC=CC1
SPLASH splash10-000j-1940000000-7c6279c3dafce3fe852d
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Methyl-1-pentyl-1H-indole-3-carboxylate methyl 1-pentyl-1H-indole-3-carboxylate
Technique GC/MS
Wiley ID DD2024_019603