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Cyano(5'-ethoxy-1,2,3,4,3',4'-hexahydro-2'H-[2,2']bipyrrolyl-5-ylidene)acetic acid, t-butyl ester
SpectraBase Compound ID 5FB8U9Nqx1U
InChI InChI=1S/C17H25N3O3/c1-5-22-15-9-8-14(20-15)13-7-6-12(19-13)11(10-18)16(21)23-17(2,3)4/h13-14,19H,5-9H2,1-4H3/b12-11+
InChIKey LUKURZBUJYDLKH-VAWYXSNFSA-N
Mol Weight 319.41 g/mol
Molecular Formula C17H25N3O3
Exact Mass 319.189592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ae1n7FDq9cw
Name CYANO-(5'-ETHOXY-1,2,3,4,3',4'-HEXAHYDRO-2'H-[2,2']BIPYRROLYL-5-YLIDENE)ACETIC ACID, tert-BUTYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H25N3O3
InChI InChI=1S/C17H25N3O3/c1-5-22-15-9-8-14(20-15)13-7-6-12(19-13)11(10-18)16(21)23-17(2,3)4/h13-14,19H,5-9H2,1-4H3/b12-11+
InChIKey LUKURZBUJYDLKH-VAWYXSNFSA-N
Molecular Weight 319.1890
SMILES N1C(CC\C1=C\(C(OC(C)(C)C)=O)C#N)C1N=C(OCC)CC1
SPLASH splash10-0bu3-9300000000-4869520ccb88ee65ceda
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany