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2-Phenyl-3-allyl-7-nitro-1,4-benzoxathiine-4,4-dioxide
SpectraBase Compound ID Ac5eqVMyWwr
InChI InChI=1S/C17H13NO5S/c1-2-6-16-17(12-7-4-3-5-8-12)23-14-11-13(18(19)20)9-10-15(14)24(16,21)22/h2-5,7-11H,1,6H2
InChIKey IVMWHVYSMSKVBM-UHFFFAOYSA-N
Mol Weight 343.35 g/mol
Molecular Formula C17H13NO5S
Exact Mass 343.051444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3hNYOlWDiHr
Name 2-Phenyl-3-allyl-7-nitro-1,4-benzoxathiine-4,4-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13NO5S
InChI InChI=1S/C17H13NO5S/c1-2-6-16-17(12-7-4-3-5-8-12)23-14-11-13(18(19)20)9-10-15(14)24(16,21)22/h2-5,7-11H,1,6H2
InChIKey IVMWHVYSMSKVBM-UHFFFAOYSA-N
Molecular Weight 343.353 g/mol
SMILES C=1(S(c2c(OC1c1ccccc1)cc(cc2)N(=O)=O)(=O)=O)CC=C
SPLASH splash10-0006-2902000000-b1836a607cbcbbb72ffc
Source of Spectrum SK-26-3985-3
Synonyms 3-Allyl-7-nitro-2-phenyl-1,4-benzoxathiin 4,4-dioxide 7-Nitro-2-phenyl-3-prop-2-enyl-1,4$l^{6}-benzoxathiin 4,4-dioxide 3-Allyl-7-nitro-2-phenyl-1,4$l^{6}-benzoxathiine 4,4-dioxide 7-Nitro-2-phenyl-3-prop-2-enyl-1,4$l^{6}-benzoxathiine 4,4-dioxide
Wiley ID 867445