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1H-Indole-3-acetic acid, 1-[(4-methoxyphenyl)sulfonyl]-, methyl ester
SpectraBase Compound ID 1xPED1r9kgp
InChI InChI=1S/C18H17NO5S/c1-23-14-7-9-15(10-8-14)25(21,22)19-12-13(11-18(20)24-2)16-5-3-4-6-17(16)19/h3-10,12H,11H2,1-2H3
InChIKey ZKZZWARSLVSVKJ-UHFFFAOYSA-N
Mol Weight 359.4 g/mol
Molecular Formula C18H17NO5S
Exact Mass 359.082744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GxmPIMrqXyY
Name 1H-Indole-3-acetic acid, 1-[(4-methoxyphenyl)sulfonyl]-, methyl ester
Alternate Name(s) Methyl (1-[(4-methoxyphenyl)sulfonyl]-1H-indol-3-yl)acetate 2-[1-(4-methoxyphenyl)sulfonyl-3-indolyl]acetic acid methyl ester 2-[1-(4-methoxyphenyl)sulfonylindol-3-yl]acetic acid methyl ester Methyl 2-[1-(4-methoxyphenyl)sulfonylindol-3-yl]acetate Methyl 2-[1-(4-methoxyphenyl)sulfonylindol-3-yl]ethanoate
CAS Registry Number 123843-22-1
Comments Original formula: C23[13C]H41DO3; Note: The molecular formula of the structure shown is C18H17NO5S - which differs from the formula reported for the mass spectrum (C23[13C]H41DO3)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H42O3
InChI InChI=1S/C18H17NO5S/c1-23-14-7-9-15(10-8-14)25(21,22)19-12-13(11-18(20)24-2)16-5-3-4-6-17(16)19/h3-10,12H,11H2,1-2H3
InChIKey ZKZZWARSLVSVKJ-UHFFFAOYSA-N
Molecular Weight 359.396 g/mol
SMILES c1cc(S([n]2cc(c3c2cccc3)CC(=O)OC)(=O)=O)ccc1OC
SPLASH splash10-0296-9300000000-9f190b22145d68a481d2
Wiley ID 1485557