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Benzene, 1-[[(4-methoxyphenyl)ethynyl]thio]-2-nitro-
SpectraBase Compound ID LdG9Yle2AIZ
InChI InChI=1S/C15H11NO3S/c1-19-13-8-6-12(7-9-13)10-11-20-15-5-3-2-4-14(15)16(17)18/h2-9H,1H3
InChIKey SJXCKOMBSHIMTI-UHFFFAOYSA-N
Mol Weight 285.32 g/mol
Molecular Formula C15H11NO3S
Exact Mass 285.045964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5QOkAFakyeL
Name Benzene, 1-[[(4-methoxyphenyl)ethynyl]thio]-2-nitro-
Alternate Name(s) 1-{[(4-methoxyphenyl)ethynyl]sulfanyl}-2-nitrobenzene 2-Nitrophenyl-[(p-methoxy)phenyl]ethynylsulphide Methyl 4-{[(2-nitrophenyl)sulfanyl]ethynyl}phenyl ether
CAS Registry Number 124499-78-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H11NO3S
InChI InChI=1S/C15H11NO3S/c1-19-13-8-6-12(7-9-13)10-11-20-15-5-3-2-4-14(15)16(17)18/h2-9H,1H3
InChIKey SJXCKOMBSHIMTI-UHFFFAOYSA-N
Molecular Weight 285.317 g/mol
SMILES c1(N(=O)=O)c(SC#Cc2ccc(cc2)OC)cccc1
SPLASH splash10-000i-0960000000-9627920c431581e86848
Source of Spectrum O-24-486-7
Wiley ID 1288848