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1-(benzenesulfonyl)-3-[(E)-3-(1,3-dioxan-2-yl)-2-nitro-prop-1-enyl]pyrrole
SpectraBase Compound ID 3jMOlb5zOYp
InChI InChI=1S/C17H18N2O6S/c20-19(21)15(12-17-24-9-4-10-25-17)11-14-7-8-18(13-14)26(22,23)16-5-2-1-3-6-16/h1-3,5-8,11,13,17H,4,9-10,12H2/b15-11+
InChIKey BDQGXJFQPLDCHR-RVDMUPIBSA-N
Mol Weight 378.4 g/mol
Molecular Formula C17H18N2O6S
Exact Mass 378.088557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Aan657x8f4D
Name 1-(benzenesulfonyl)-3-[(E)-3-(1,3-dioxan-2-yl)-2-nitro-prop-1-enyl]pyrrole
Alternate Name(s) 1-besyl-3-[(E)-3-(1,3-dioxan-2-yl)-2-nitro-prop-1-enyl]pyrrole 3-[(E)-3-(1,3-dioxan-2-yl)-2-nitro-prop-1-enyl]-1-(phenylsulfonyl)pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18N2O6S
InChI InChI=1S/C17H18N2O6S/c20-19(21)15(12-17-24-9-4-10-25-17)11-14-7-8-18(13-14)26(22,23)16-5-2-1-3-6-16/h1-3,5-8,11,13,17H,4,9-10,12H2/b15-11+
InChIKey BDQGXJFQPLDCHR-RVDMUPIBSA-N
Molecular Weight 378.399 g/mol
SMILES c1[n](S(=O)(=O)c2ccccc2)ccc1\C=C/(N(=O)=O)CC1OCCCO1
SPLASH splash10-000i-9000000000-e17f5ca3f8cd274b4e2d
Source of Spectrum E1-40-2349-21
Wiley ID 1519659