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3-(6-bromo-1,3-benzodioxol-5-yl)propyl 4-nitrobenzenesulfonate
SpectraBase Compound ID ITOEbGauyS1
InChI InChI=1S/C16H14BrNO7S/c17-14-9-16-15(23-10-24-16)8-11(14)2-1-7-25-26(21,22)13-5-3-12(4-6-13)18(19)20/h3-6,8-9H,1-2,7,10H2
InChIKey YJKMIFSPTLJJKP-UHFFFAOYSA-N
Mol Weight 444.25 g/mol
Molecular Formula C16H14BrNO7S
Exact Mass 442.967436 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ZfTU3nFHG4
Name 3-(6-bromo-1,3-benzodioxol-5-yl)propyl 4-nitrobenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14BrNO7S
InChI InChI=1S/C16H14BrNO7S/c17-14-9-16-15(23-10-24-16)8-11(14)2-1-7-25-26(21,22)13-5-3-12(4-6-13)18(19)20/h3-6,8-9H,1-2,7,10H2
InChIKey YJKMIFSPTLJJKP-UHFFFAOYSA-N
Molecular Weight 444.252 g/mol
SMILES c1(S(=O)(=O)OCCCc2c(cc3c(c2)OCO3)Br)ccc(N(=O)=O)cc1
SPLASH splash10-0007-0270900000-5d5a754567469b635452
Source of Spectrum K1-2000-2439-18
Synonyms 3-(6-bromanyl-1,3-benzodioxol-5-yl)propyl 4-nitrobenzenesulfonate
Wiley ID 814731