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N,N-Diisopropyl-2-[(2'-hydroxyanthrylethyl)benzene]-carbothioamide
SpectraBase Compound ID CtscIdyPa0b
InChI InChI=1S/C29H31NOS/c1-19(2)30(20(3)4)29(32)25-12-8-7-9-21(25)13-15-26-27-18-23-11-6-5-10-22(23)17-24(27)14-16-28(26)31/h5-12,14,16-20,31H,13,15H2,1-4H3
InChIKey NBMDFVRWXZNKRP-UHFFFAOYSA-N
Mol Weight 441.63 g/mol
Molecular Formula C29H31NOS
Exact Mass 441.212636 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L5f1Bv23oqa
Name N,N-Diisopropyl-2-[(2'-hydroxyanthrylethyl)benzene]-carbothioamide
Alternate Name(s) 2-[2-(2-hydroxy-1-anthryl)ethyl]-N,N-diisopropylbenzenecarbothioamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H31NOS
InChI InChI=1S/C29H31NOS/c1-19(2)30(20(3)4)29(32)25-12-8-7-9-21(25)13-15-26-27-18-23-11-6-5-10-22(23)17-24(27)14-16-28(26)31/h5-12,14,16-20,31H,13,15H2,1-4H3
InChIKey NBMDFVRWXZNKRP-UHFFFAOYSA-N
Molecular Weight 441.633 g/mol
SMILES Oc1c(c2cc3ccccc3cc2cc1)CCc1c(C(N(C(C)C)C(C)C)=S)cccc1
SPLASH splash10-0a4u-0936700000-7ba74220828d5ed1f152
Source of Spectrum U1-2003-3404-25
Wiley ID 1523767