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(Z)-Methyl 2-[(Z)-3-benzyl-2-(cyclooctylidenehydrazono)-4-oxothiazolidin-5-ylidene]acetate
SpectraBase Compound ID Eyj9MpFTWsL
InChI InChI=1S/C21H25N3O3S/c1-27-19(25)14-18-20(26)24(15-16-10-6-5-7-11-16)21(28-18)23-22-17-12-8-3-2-4-9-13-17/h5-7,10-11,14H,2-4,8-9,12-13,15H2,1H3/b18-14-,23-21-
InChIKey DGHKIYJRMPNSIK-SMNSWUKCSA-N
Mol Weight 399.51 g/mol
Molecular Formula C21H25N3O3S
Exact Mass 399.161663 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6rxBJhguoBq
Name (Z)-Methyl 2-[(Z)-3-benzyl-2-(cyclooctylidenehydrazono)-4-oxothiazolidin-5-ylidene]acetate
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25N3O3S
InChI InChI=1S/C21H25N3O3S/c1-27-19(25)14-18-20(26)24(15-16-10-6-5-7-11-16)21(28-18)23-22-17-12-8-3-2-4-9-13-17/h5-7,10-11,14H,2-4,8-9,12-13,15H2,1H3/b18-14-,23-21-
InChIKey DGHKIYJRMPNSIK-SMNSWUKCSA-N
Instrument Name Varian MAT 311
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2803
Molecular Weight 399.509 g/mol
SMILES C(c1ccccc1)N1\C(S\C(C1=O)=C\C(=O)OC)=N\N=C1CCCCCCC1
SPLASH splash10-002e-6519000000-48f990f6c4368d079c09
Source of Spectrum Y-54-2051-5h
Wiley ID 1878419