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Ethyl 5-(N-cyanomethylbenzylamino)-3-phenylthioprentanoate

View entire compound with spectra: 1 MS (GC)

Ethyl 5-(N-cyanomethylbenzylamino)-3-phenylthioprentanoate
SpectraBase Compound ID GxgMK19bPSE
InChI InChI=1S/C22H26N2O2S/c1-2-26-22(25)17-21(27-20-11-7-4-8-12-20)13-15-24(16-14-23)18-19-9-5-3-6-10-19/h3-12,21H,2,13,15-18H2,1H3
InChIKey XYVQDQXDFVIXII-UHFFFAOYSA-N
Mol Weight 382.52 g/mol
Molecular Formula C22H26N2O2S
Exact Mass 382.171499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8XEDIM6NlEk
Name Ethyl 5-(N-cyanomethylbenzylamino)-3-phenylthioprentanoate
Alternate Name(s) Ethyl 5-(N-cyanomethylbenzylamino)-3-phenylthiopentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26N2O2S
InChI InChI=1S/C22H26N2O2S/c1-2-26-22(25)17-21(27-20-11-7-4-8-12-20)13-15-24(16-14-23)18-19-9-5-3-6-10-19/h3-12,21H,2,13,15-18H2,1H3
InChIKey XYVQDQXDFVIXII-UHFFFAOYSA-N
Molecular Weight 382.522 g/mol
SMILES C(#N)CN(Cc1ccccc1)CCC(CC(=O)OCC)Sc1ccccc1
SPLASH splash10-052f-4549000000-fb81bb0d33a6516e0e2c
Source of Spectrum QA-41-810-18
Wiley ID 861873