For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5.lambda.4,14.lambda.4-Dibenzo[b,n][1,16,19,4,13,5,12]trioxadithiadi azacycloheneicosine, 7,8,9,10,11,12,20,21,23,24-decahydro-5,14-bis(4-methylphenyl)-, 5,14-dioxide, [5S-(5R*,14R*)]-
SpectraBase Compound ID 1dwnAhkzbP2
InChI InChI=1S/C36H42N2O5S2/c1-28-15-19-30(20-16-28)44(39)34-13-7-5-11-32(34)42-26-25-41-27-36(37-23-9-3-4-10-24-38-36)43-33-12-6-8-14-35(33)45(40)31-21-17-29(2)18-22-31/h5-8,11-22,37-38H,3-4,9-10,23-27H2,1-2H3
InChIKey VWRCCXCMIJFLIO-UHFFFAOYSA-N
Mol Weight 646.9 g/mol
Molecular Formula C36H42N2O5S2
Exact Mass 646.253515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KDukkZpAosn
Name 5.lambda.4,14.lambda.4-Dibenzo[b,n][1,16,19,4,13,5,12]trioxadithiadi azacycloheneicosine, 7,8,9,10,11,12,20,21,23,24-decahydro-5,14-bis(4-methylphenyl)-, 5,14-dioxide, [5S-(5R*,14R*)]-
CAS Registry Number 113344-63-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H42N2O5S2
InChI InChI=1S/C36H42N2O5S2/c1-28-15-19-30(20-16-28)44(39)34-13-7-5-11-32(34)42-26-25-41-27-36(37-23-9-3-4-10-24-38-36)43-33-12-6-8-14-35(33)45(40)31-21-17-29(2)18-22-31/h5-8,11-22,37-38H,3-4,9-10,23-27H2,1-2H3
InChIKey VWRCCXCMIJFLIO-UHFFFAOYSA-N
Molecular Weight 646.861 g/mol
SMILES N1CCCCCCNC1(Oc1c([S@](c2ccc(cc2)C)=O)cccc1)COCCOc1c([S@](c2ccc(cc2)C)=O)cccc1
SPLASH splash10-004i-9000021000-b8ae37a054b145c2f6a6
Source of Spectrum B-40-72-2
Synonyms (S,S)-hexamethylenediimino-(S,S)-1,5-bis[o-(p-methylphenylsulfinyl)phenoxy]-3-oxapentane 2-{2-[(4-methylphenyl)sulfinyl]phenoxy}-2-[(2-{2-[(4-methylphenyl)sulfinyl]phenoxy}ethoxy)methyl]octahydro-1H-1,3-diazonine
Wiley ID 1412918