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1,2,5,8-Dithiadiazecine, naphtho[2,1-b]thiophene-4-carboxylic acid deriv.
SpectraBase Compound ID 3tUiHMGyb2h
InChI InChI=1S/C24H30N2O2S3/c1-23(2)14-25-12-17(26-15-24(3,4)31-30-23)13-28-22(27)20-11-16-7-5-6-8-18(16)19-9-10-29-21(19)20/h5-11,17,25-26H,12-15H2,1-4H3
InChIKey HPVLZFYSPPHQGB-UHFFFAOYSA-N
Mol Weight 474.7 g/mol
Molecular Formula C24H30N2O2S3
Exact Mass 474.146942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IF4eAxgvwS3
Name 1,2,5,8-Dithiadiazecine, naphtho[2,1-b]thiophene-4-carboxylic acid deriv.
Alternate Name(s) Naphtho[2,1-b]thiophene-4-carboxylic acid, (octahydro-3,3,10,10-tetramethyl-1,2,5,8-dithiadiazecin-6-yl)methyl ester, (.+-.)- (3,3,10,10-tetramethyloctahydro-1,2,5,8-dithiadiazecin-6-yl)methyl naphtho[2,1-b]thiophene-4-carboxylate
CAS Registry Number 115420-69-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H30N2O2S3
InChI InChI=1S/C24H30N2O2S3/c1-23(2)14-25-12-17(26-15-24(3,4)31-30-23)13-28-22(27)20-11-16-7-5-6-8-18(16)19-9-10-29-21(19)20/h5-11,17,25-26H,12-15H2,1-4H3
InChIKey HPVLZFYSPPHQGB-UHFFFAOYSA-N
Molecular Weight 474.696 g/mol
SMILES N1CC(SSC(CNCC1COC(c1c2c(ccs2)c2c(c1)cccc2)=O)(C)C)(C)C
SPLASH splash10-0059-0490300000-ab5af871e8f19a2239e1
Source of Spectrum J-53-4313-2
Wiley ID 1393799