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N-(1-(6-Bromobenzo[d][1,3]dioxol-5-yl)-2-(phenylsulfonyl)ethyl)aniline
SpectraBase Compound ID 1dAfTXo0CUs
InChI InChI=1S/C21H18BrNO4S/c22-18-12-21-20(26-14-27-21)11-17(18)19(23-15-7-3-1-4-8-15)13-28(24,25)16-9-5-2-6-10-16/h1-12,19,23H,13-14H2
InChIKey JKTWBHKNOFWWCL-UHFFFAOYSA-N
Mol Weight 460.34 g/mol
Molecular Formula C21H18BrNO4S
Exact Mass 459.013992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID oFVeDPvDz3
Name N-(1-(6-Bromobenzo[d][1,3]dioxol-5-yl)-2-(phenylsulfonyl)ethyl)aniline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18BrNO4S
InChI InChI=1S/C21H18BrNO4S/c22-18-12-21-20(26-14-27-21)11-17(18)19(23-15-7-3-1-4-8-15)13-28(24,25)16-9-5-2-6-10-16/h1-12,19,23H,13-14H2
InChIKey JKTWBHKNOFWWCL-UHFFFAOYSA-N
Molecular Weight 460.342 g/mol
SMILES N(C(c1cc2c(cc1Br)OCO2)CS(c1ccccc1)(=O)=O)c1ccccc1
SPLASH splash10-0ufr-0059500000-32d2650d5aa24ee93234
Source of Spectrum ASC-361-SM8-4haa
Wiley ID 1814039