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1,4-Benzenediol, 3-[(4-aminophenyl)sulfonyl]-2-chloro-5-pentadecyl-
SpectraBase Compound ID RPn2RkuqJX
InChI InChI=1S/C27H40ClNO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-20-24(30)25(28)27(26(21)31)34(32,33)23-18-16-22(29)17-19-23/h16-20,30-31H,2-15,29H2,1H3
InChIKey LWQKHYCOWRMLIK-UHFFFAOYSA-N
Mol Weight 510.1 g/mol
Molecular Formula C27H40ClNO4S
Exact Mass 509.236658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3prLQUBhQIE
Name 1,4-Benzenediol, 3-[(4-aminophenyl)sulfonyl]-2-chloro-5-pentadecyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H40ClNO4S
InChI InChI=1S/C27H40ClNO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-20-24(30)25(28)27(26(21)31)34(32,33)23-18-16-22(29)17-19-23/h16-20,30-31H,2-15,29H2,1H3
InChIKey LWQKHYCOWRMLIK-UHFFFAOYSA-N
Molecular Weight 510.133 g/mol
SMILES Oc1c(c(c(c(c1)CCCCCCCCCCCCCCC)O)S(=O)(=O)c1ccc(N)cc1)Cl
SPLASH splash10-052f-9403030000-706db0947a01a965e4f0
Source of Spectrum JX-2015-4-996
Synonyms 3-((4-aminophenyl)sulfonyl)-2-chloro-5-pentadecylbenzene-1,4-diol 3-[(4-aminophenyl)sulfonyl]-2-chloro-5-pentadecylbenzene-1,4-diol 3-(4-aminophenyl)sulfonyl-2-chloro-5-pentadecylbenzene-1,4-diol 3-(4-aminophenyl)sulfonyl-2-chloro-5-pentadecyl-benzene-1,4-diol 3-(4-aminophenyl)sulfonyl-2-chloranyl-5-pentadecyl-benzene-1,4-diol
Wiley ID 1726403