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1,1'-Spirobi[3H-2,1-benzoxathiole]-7,7'-dicarboxylic acid, 5,5'-bis(1,1-dimethylethyl)-3,3,3',3'-tetramethyl-, diethyl ester

View entire compound with spectra: 1 MS (GC)

1,1'-Spirobi[3H-2,1-benzoxathiole]-7,7'-dicarboxylic acid, 5,5'-bis(1,1-dimethylethyl)-3,3,3',3'-tetramethyl-, diethyl ester
SpectraBase Compound ID BTirsyIAKUw
InChI InChI=1S/C32H44O6S/c1-13-35-27(33)21-15-19(29(3,4)5)17-23-25(21)39(37-31(23,9)10)26-22(28(34)36-14-2)16-20(30(6,7)8)18-24(26)32(11,12)38-39/h15-18H,13-14H2,1-12H3
InChIKey BDKBTCUFWRGYSM-UHFFFAOYSA-N
Mol Weight 556.8 g/mol
Molecular Formula C32H44O6S
Exact Mass 556.28586 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1SsZkzZaQFX
Name 1,1'-Spirobi[3H-2,1-benzoxathiole]-7,7'-dicarboxylic acid, 5,5'-bis(1,1-dimethylethyl)-3,3,3',3'-tetramethyl-, diethyl ester
CAS Registry Number 75894-02-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H44O6S
InChI InChI=1S/C32H44O6S/c1-13-35-27(33)21-15-19(29(3,4)5)17-23-25(21)39(37-31(23,9)10)26-22(28(34)36-14-2)16-20(30(6,7)8)18-24(26)32(11,12)38-39/h15-18H,13-14H2,1-12H3
InChIKey BDKBTCUFWRGYSM-UHFFFAOYSA-N
Molecular Weight 556.758 g/mol
SMILES c12S3(OC(c1cc(cc2C(=O)OCC)C(C)(C)C)(C)C)c1c(cc(cc1C(O3)(C)C)C(C)(C)C)C(=O)OCC
SPLASH splash10-03di-0000090000-5d2b0dce6045ff9e9b7a
Source of Spectrum C-103-122-0
Synonyms 7,7'-Dicarbethoxy-5,5'-bis(1,1-dimethylethyl)-3,3,3',3'-tetramethyl-1,1'-spiro[3H-2,1-benzoxathiole] 7,7'-diethyl 5,5'-di-tert-butyl-3,3,3',3'-tetramethyl-3H,3'H-1-1,1'-spirobi[[2,1]benzoxathiole]-7,7'-dicarboxylate
Wiley ID 1406401