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1,5-Benzodiazocin-6(1H)-one, 8,10-bis(dodecylsulfonyl)-2,3,4,5-tetrahydro-5-methyl-
SpectraBase Compound ID 5MZjb9TWcbg
InChI InChI=1S/C35H62N2O5S2/c1-4-6-8-10-12-14-16-18-20-22-27-43(39,40)31-29-32-34(36-25-24-26-37(3)35(32)38)33(30-31)44(41,42)28-23-21-19-17-15-13-11-9-7-5-2/h29-30,36H,4-28H2,1-3H3
InChIKey SIMQAVZJMJWEQK-UHFFFAOYSA-N
Mol Weight 655.0 g/mol
Molecular Formula C35H62N2O5S2
Exact Mass 654.410015 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KoHVoRTGbzr
Name 1,5-Benzodiazocin-6(1H)-one, 8,10-bis(dodecylsulfonyl)-2,3,4,5-tetrahydro-5-methyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H62N2O5S2
InChI InChI=1S/C35H62N2O5S2/c1-4-6-8-10-12-14-16-18-20-22-27-43(39,40)31-29-32-34(36-25-24-26-37(3)35(32)38)33(30-31)44(41,42)28-23-21-19-17-15-13-11-9-7-5-2/h29-30,36H,4-28H2,1-3H3
InChIKey SIMQAVZJMJWEQK-UHFFFAOYSA-N
Molecular Weight 655.010 g/mol
SMILES N1c2c(cc(cc2C(N(CCC1)C)=O)S(CCCCCCCCCCCC)(=O)=O)S(=O)(=O)CCCCCCCCCCCC
SPLASH splash10-052f-9000003000-7d2104c8f0d43b429b72
Source of Spectrum JX-2015-4-1392
Synonyms 8,10-bis(dodecylsulfonyl)-5-methyl-2,3,4,5-tetrahydrobenzo[b][1,5]diazocin-6(1H)-one 8,10-bis(dodecylsulfonyl)-5-methyl-2,3,4,5-tetrahydro-1,5-benzodiazocin-6(1H)-one 8,10-bis(dodecylsulfonyl)-5-methyl-1,2,3,4-tetrahydro-1,5-benzodiazocin-6-one
Wiley ID 1726780