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1-{[(1Z)-1-Iodo-2-phenyloct-1-enyl]thio}-4-methoxybenzene
SpectraBase Compound ID BecQlel4HQB
InChI InChI=1S/C21H25IOS/c1-3-4-5-9-12-20(17-10-7-6-8-11-17)21(22)24-19-15-13-18(23-2)14-16-19/h6-8,10-11,13-16H,3-5,9,12H2,1-2H3/b21-20+
InChIKey LYAGEDLZDVJTQS-QZQOTICOSA-N
Mol Weight 452.39 g/mol
Molecular Formula C21H25IOS
Exact Mass 452.067082 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5n8SkA0Z43a
Name 1-{[(1Z)-1-Iodo-2-phenyloct-1-enyl]thio}-4-methoxybenzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25IOS
InChI InChI=1S/C21H25IOS/c1-3-4-5-9-12-20(17-10-7-6-8-11-17)21(22)24-19-15-13-18(23-2)14-16-19/h6-8,10-11,13-16H,3-5,9,12H2,1-2H3/b21-20+
InChIKey LYAGEDLZDVJTQS-QZQOTICOSA-N
Molecular Weight 452.394 g/mol
SMILES c1(\C(=C\(Sc2ccc(cc2)OC)I)CCCCCC)ccccc1
SPLASH splash10-000i-1910000000-fef554e9088b3034dcb9
Source of Spectrum F4-43-3458-6c
Wiley ID 1690584