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6,13-bis(Hexyloxy) triphenodithiazine
SpectraBase Compound ID 75OOn0ObQuZ
InChI InChI=1S/C30H34N2O2S2/c1-3-5-7-13-19-33-27-25-30(36-24-18-12-9-15-21(24)31-25)28(34-20-14-8-6-4-2)26-29(27)35-23-17-11-10-16-22(23)32-26/h9-12,15-18H,3-8,13-14,19-20H2,1-2H3
InChIKey AMUVFBXTAPEJDY-UHFFFAOYSA-N
Mol Weight 518.7 g/mol
Molecular Formula C30H34N2O2S2
Exact Mass 518.206171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7hexfEorrYq
Name 6,13-bis(Hexyloxy) triphenodithiazine
Alternate Name(s) 6,13-bis(hexyloxy)[1,4]benzothiazino[2,3-b]phenothiazine
CAS Registry Number 140360-61-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H34N2O2S2
InChI InChI=1S/C30H34N2O2S2/c1-3-5-7-13-19-33-27-25-30(36-24-18-12-9-15-21(24)31-25)28(34-20-14-8-6-4-2)26-29(27)35-23-17-11-10-16-22(23)32-26/h9-12,15-18H,3-8,13-14,19-20H2,1-2H3
InChIKey AMUVFBXTAPEJDY-UHFFFAOYSA-N
Molecular Weight 518.734 g/mol
SMILES C1=2C(C(OCCCCCC)=C3C(C2OCCCCCC)=Nc2c(cccc2)S3)=Nc2c(S1)cccc2
SPLASH splash10-014j-0000970000-1db41d4be24a7bd84743
Source of Spectrum K-125-1499-8
Wiley ID 1401727