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Benzenepropanoic acid, 4-(cyclopentyloxy)-.beta.-[[(4-methoxyphenyl)sulfonyl]amino]-
SpectraBase Compound ID IZ5TFdE4lnb
InChI InChI=1S/C21H25NO6S/c1-27-16-10-12-19(13-11-16)29(25,26)22-20(14-21(23)24)15-6-8-18(9-7-15)28-17-4-2-3-5-17/h6-13,17,20,22H,2-5,14H2,1H3,(H,23,24)
InChIKey KCMQZLIVXHMEQT-UHFFFAOYSA-N
Mol Weight 419.49 g/mol
Molecular Formula C21H25NO6S
Exact Mass 419.140259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DCATFokcRYw
Name Benzenepropanoic acid, 4-(cyclopentyloxy)-.beta.-[[(4-methoxyphenyl)sulfonyl]amino]-
Alternate Name(s) 3-[4-(cyclopentoxy)phenyl]-3-[(4-methoxyphenyl)sulfonylamino]propanoic acid 3-(4-cyclopentyloxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO6S
InChI InChI=1S/C21H25NO6S/c1-27-16-10-12-19(13-11-16)29(25,26)22-20(14-21(23)24)15-6-8-18(9-7-15)28-17-4-2-3-5-17/h6-13,17,20,22H,2-5,14H2,1H3,(H,23,24)
InChIKey KCMQZLIVXHMEQT-UHFFFAOYSA-N
Molecular Weight 419.492 g/mol
SMILES OC(CC(c1ccc(cc1)OC1CCCC1)NS(=O)(c1ccc(cc1)OC)=O)=O
SPLASH splash10-006x-6900000000-5f70705da9d4352a6906
Source of Spectrum IY-1-4656-3
Wiley ID 1654546