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1,6,11-Tris[(2,4,6-triisopropylphenyl)sulfonyl]-1,6,11-triiazacyclopentadecane
SpectraBase Compound ID B907OaC0zLm
InChI InChI=1S/C57H93N3O6S3/c1-37(2)46-31-49(40(7)8)55(50(32-46)41(9)10)67(61,62)58-25-19-21-27-59(68(63,64)56-51(42(11)12)33-47(38(3)4)34-52(56)43(13)14)29-23-24-30-60(28-22-20-26-58)69(65,66)57-53(44(15)16)35-48(39(5)6)36-54(57)45(17)18/h31-45H,19-30H2,1-18H3
InChIKey SBRMTKBIZJSJHM-UHFFFAOYSA-N
Mol Weight 1012.6 g/mol
Molecular Formula C57H93N3O6S3
Exact Mass 1011.622651 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DJRvdzcK9vN
Name 1,6,11-Tris[(2,4,6-triisopropylphenyl)sulfonyl]-1,6,11-triiazacyclopentadecane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C57H93N3O6S3
InChI InChI=1S/C57H93N3O6S3/c1-37(2)46-31-49(40(7)8)55(50(32-46)41(9)10)67(61,62)58-25-19-21-27-59(68(63,64)56-51(42(11)12)33-47(38(3)4)34-52(56)43(13)14)29-23-24-30-60(28-22-20-26-58)69(65,66)57-53(44(15)16)35-48(39(5)6)36-54(57)45(17)18/h31-45H,19-30H2,1-18H3
InChIKey SBRMTKBIZJSJHM-UHFFFAOYSA-N
Molecular Weight 1012.566 g/mol
SMILES c1(S(N2CCCCN(S(c3c(cc(cc3C(C)C)C(C)C)C(C)C)(=O)=O)CCCCN(S(c3c(cc(cc3C(C)C)C(C)C)C(C)C)(=O)=O)CCCC2)(=O)=O)c(cc(cc1C(C)C)C(C)C)C(C)C
SPLASH splash10-004i-3000900000-117814d94e0601a5faa5
Source of Spectrum F-54-14900-22
Synonyms 1,6,11-tris({[2,4,6-tris(propan-2-yl)benzene]sulfonyl})-1,6,11-triazacyclopentadecane
Wiley ID 809765