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Hex-5-en-1-yl 1-(4-methoxyphenyl)-1H-indole-3-sulfonate
SpectraBase Compound ID 2IdXbPC3CGR
InChI InChI=1S/C21H23NO4S/c1-3-4-5-8-15-26-27(23,24)21-16-22(20-10-7-6-9-19(20)21)17-11-13-18(25-2)14-12-17/h3,6-7,9-14,16H,1,4-5,8,15H2,2H3
InChIKey UMDBCIYEITZTJY-UHFFFAOYSA-N
Mol Weight 385.48 g/mol
Molecular Formula C21H23NO4S
Exact Mass 385.134779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8bD6aVDk88O
Name Hex-5-en-1-yl 1-(4-methoxyphenyl)-1H-indole-3-sulfonate
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 385.134779395 u
Formula C21H23NO4S
InChI InChI=1S/C21H23NO4S/c1-3-4-5-8-15-26-27(23,24)21-16-22(20-10-7-6-9-19(20)21)17-11-13-18(25-2)14-12-17/h3,6-7,9-14,16H,1,4-5,8,15H2,2H3
InChIKey UMDBCIYEITZTJY-UHFFFAOYSA-N
Instrument Name Agilent 5975N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201612565
Molecular Weight 385.478 g/mol
Quality 81
Reported Formula C21H23NO4S
SMILES C1(S(OCCCCC=C)(=O)=O)=CN(C2=C1C=CC=C2)C1=CC=C(C=C1)OC
SPLASH splash10-0uk9-0249000000-0e9e23d1916d828959e8
Source of Spectrum ACI-56-SM41-9 (DOI: 10.1002/anie.201612565)
Wiley ID 1895571