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methyl 2-acetamido-3-[1,6-bis(1-cyanoethyl)indol-3-yl]propanoate
SpectraBase Compound ID 5Ep0nlM3b8k
InChI InChI=1S/C20H22N4O3/c1-12(9-21)15-5-6-17-16(7-18(20(26)27-4)23-14(3)25)11-24(13(2)10-22)19(17)8-15/h5-6,8,11-13,18H,7H2,1-4H3,(H,23,25)
InChIKey BGLQRMAFLDAFNK-UHFFFAOYSA-N
Mol Weight 366.42 g/mol
Molecular Formula C20H22N4O3
Exact Mass 366.169191 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dbpdw6V4Myk
Name methyl 2-acetamido-3-[1,6-bis(1-cyanoethyl)indol-3-yl]propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N4O3
InChI InChI=1S/C20H22N4O3/c1-12(9-21)15-5-6-17-16(7-18(20(26)27-4)23-14(3)25)11-24(13(2)10-22)19(17)8-15/h5-6,8,11-13,18H,7H2,1-4H3,(H,23,25)
InChIKey BGLQRMAFLDAFNK-UHFFFAOYSA-N
Instrument Name VG 70-250S
Ionization Type EI
Literature Reference DOI 10.1016/S1044-0305(02)00623-2
Molecular Weight 366.421 g/mol
SMILES N(C(Cc1c2ccc(cc2[n](c1)C(C)C#N)C(C)C#N)C(OC)=O)C(C)=O
SPLASH splash10-000i-0394000000-9827cf8618bbf2d3c443
Source of Spectrum A7-13-1300-Compound 4
Wiley ID 1843786