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N(1),,N(1)-3-oxapentamethylen-2-phenyl-N(2)-tosyl-2-tosyliminoacetamidine
SpectraBase Compound ID 82g5Kf9dLy2
InChI InChI=1S/C26H27N3O5S2/c1-20-8-12-23(13-9-20)35(30,31)27-25(22-6-4-3-5-7-22)26(29-16-18-34-19-17-29)28-36(32,33)24-14-10-21(2)11-15-24/h3-15H,16-19H2,1-2H3/b27-25+,28-26+
InChIKey UVAPMGQJACYVAF-NBHCHVEOSA-N
Mol Weight 525.64 g/mol
Molecular Formula C26H27N3O5S2
Exact Mass 525.139213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HPbQBy1hley
Name N(1),,N(1)-3-oxapentamethylen-2-phenyl-N(2)-tosyl-2-tosyliminoacetamidine
CAS Registry Number 107098-83-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H27N3O5S2
InChI InChI=1S/C26H27N3O5S2/c1-20-8-12-23(13-9-20)35(30,31)27-25(22-6-4-3-5-7-22)26(29-16-18-34-19-17-29)28-36(32,33)24-14-10-21(2)11-15-24/h3-15H,16-19H2,1-2H3/b27-25+,28-26+
InChIKey UVAPMGQJACYVAF-NBHCHVEOSA-N
Molecular Weight 525.638 g/mol
SMILES c1(S(\N=C/(\C(=N\S(c2ccc(cc2)C)(=O)=O)c2ccccc2)N2CCOCC2)(=O)=O)ccc(cc1)C
SPLASH splash10-05fu-6619000000-6ccb5dcd1348277be825
Source of Spectrum K-120-757-6
Synonyms 4-Methyl-N-[(E,2E)-2-{[(4-methylphenyl)sulfonyl]imino}-1-(4-morpholinyl)-2-phenylethylidene]benzenesulfonamide
Wiley ID 1402665