Hexamethylenebis[dithiomethylcarbamic acid], diester with 2-mercapto-p-acetophenetidide

SpectraBase Compound ID	7ylzvTU9A9
InChI	InChI=1S/C30H42N4O4S4/c1-5-37-25-15-11-23(12-16-25)31-27(35)21-41-29(39)33(3)19-9-7-8-10-20-34(4)30(40)42-22-28(36)32-24-13-17-26(18-14-24)38-6-2/h11-18H,5-10,19-22H2,1-4H3,(H,31,35)(H,32,36)
InChIKey	MVFZXTROEPNEKO-UHFFFAOYSA-N Google Search
Mol Weight	650.9 g/mol
Molecular Formula	C30H42N4O4S4
Exact Mass	650.208891 g/mol

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SpectraBase Spectrum ID	110xJ0mUqfD
Name	Hexamethylenebis[dithiomethylcarbamic acid], diester with 2-mercapto-p-acetophenetidide
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	650.208890540 u
Formula	C30H42N4O4S4
InChI	InChI=1S/C30H42N4O4S4/c1-5-37-25-15-11-23(12-16-25)31-27(35)21-41-29(39)33(3)19-9-7-8-10-20-34(4)30(40)42-22-28(36)32-24-13-17-26(18-14-24)38-6-2/h11-18H,5-10,19-22H2,1-4H3,(H,31,35)(H,32,36)
InChIKey	MVFZXTROEPNEKO-UHFFFAOYSA-N
Molecular Weight	650.930 g/mol
SMILES	N(C1=CC=C(C=C1)OCC)C(CSC(N(CCCCCCN(C(SCC(NC=1C=CC(=CC1)OCC)=O)=S)C)C)=S)=O
Spectrum/Structure Validation Score (Raman)	0.784449