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

*Links on SpectraBase are not permalinks.
Benzoic acid, 3-[acetyl[4-[[[2,4,6-tris(1-methylethyl)phenyl]sulfonyl]amino]phenyl]amino]-2,6-bis(phenylmethoxy)-, methyl ester
SpectraBase Compound ID 1vEsKowWKFv
InChI InChI=1S/C45H50N2O7S/c1-29(2)35-25-38(30(3)4)44(39(26-35)31(5)6)55(50,51)46-36-19-21-37(22-20-36)47(32(7)48)40-23-24-41(53-27-33-15-11-9-12-16-33)42(45(49)52-8)43(40)54-28-34-17-13-10-14-18-34/h9-26,29-31,46H,27-28H2,1-8H3
InChIKey MCIDTNXZQVDBNN-UHFFFAOYSA-N
Mol Weight 763.0 g/mol
Molecular Formula C45H50N2O7S
Exact Mass 762.333873 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 2UUVqtB2qOv
Name Benzoic acid, 3-[acetyl[4-[[[2,4,6-tris(1-methylethyl)phenyl]sulfonyl]amino]phenyl]amino]-2,6-bis(phenylmethoxy)-, methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C45H50N2O7S
InChI InChI=1S/C45H50N2O7S/c1-29(2)35-25-38(30(3)4)44(39(26-35)31(5)6)55(50,51)46-36-19-21-37(22-20-36)47(32(7)48)40-23-24-41(53-27-33-15-11-9-12-16-33)42(45(49)52-8)43(40)54-28-34-17-13-10-14-18-34/h9-26,29-31,46H,27-28H2,1-8H3
InChIKey MCIDTNXZQVDBNN-UHFFFAOYSA-N
Molecular Weight 762.962 g/mol
SMILES N(c1ccc(N(c2ccc(c(C(OC)=O)c2OCc2ccccc2)OCc2ccccc2)C(C)=O)cc1)S(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
SPLASH splash10-0006-9321200000-3f1ba9d11e27a9ef6861
Source of Spectrum JX-2015-4-1487
Synonyms Methyl 2,6-bis(benzyloxy)-3-(N-(4-(2,4,6-triisopropylphenylsulfonamido)phenyl)acetamido)benzoate Methyl 3-{acetyl[4-({[2,4,6-tri(propan-2-yl)phenyl]sulfonyl}amino)phenyl]amino}-2,6-bis(benzyloxy)benzoate 3-[N-acetyl-4-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]anilino]-2,6-bis(phenylmethoxy)benzoic acid methyl ester Methyl 3-[N-acetyl-4-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]anilino]-2,6-bis(phenylmethoxy)benzoate Methyl 3-[N-acetyl-4-[(2,4,6-triisopropylphenyl)sulfonylamino]anilino]-2,6-dibenzyloxy-benzoate Methyl 3-[ethanoyl-[4-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]phenyl]amino]-2,6-bis(phenylmethoxy)benzoate
Wiley ID 1726870