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3-Nitro-2-phenylpropyl benzenesulfonate
SpectraBase Compound ID HJyjJgDv0vo
InChI InChI=1S/C15H15NO5S/c17-16(18)11-14(13-7-3-1-4-8-13)12-21-22(19,20)15-9-5-2-6-10-15/h1-10,14H,11-12H2
InChIKey INNMVQLCSBVBHB-UHFFFAOYSA-N
Mol Weight 321.35 g/mol
Molecular Formula C15H15NO5S
Exact Mass 321.067094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ddu6YgtPwTE
Name 3-Nitro-2-phenylpropyl benzenesulfonate
CAS Registry Number 341937-27-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15NO5S
InChI InChI=1S/C15H15NO5S/c17-16(18)11-14(13-7-3-1-4-8-13)12-21-22(19,20)15-9-5-2-6-10-15/h1-10,14H,11-12H2
InChIKey INNMVQLCSBVBHB-UHFFFAOYSA-N
Molecular Weight 321.347 g/mol
SMILES c1ccc(S(OCC(CN(=O)=O)c2ccccc2)(=O)=O)cc1
SPLASH splash10-014l-9600000000-d8439f0dc5e315d8109f
Source of Spectrum AD-0-2532-0
Synonyms benzenesulfonic acid (3-nitro-2-phenyl-propyl) ester Benzenesulfonic acid, 3-nitro-3-phenylpropyl ester benzenesulfonic acid (3-nitro-2-phenylpropyl) ester (3-nitro-2-phenylpropyl) benzenesulfonate
Wiley ID 1430930