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2-Phenyl-3-ethyl-7-nitro-1,4-benzoxathiine-4,4-dioxide
SpectraBase Compound ID 6B1Q1Tp2YoB
InChI InChI=1S/C16H13NO5S/c1-2-14-16(11-6-4-3-5-7-11)22-13-10-12(17(18)19)8-9-15(13)23(14,20)21/h3-10H,2H2,1H3
InChIKey VQGUZWJCJFNFPS-UHFFFAOYSA-N
Mol Weight 331.34 g/mol
Molecular Formula C16H13NO5S
Exact Mass 331.051444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 63fWdhEYVr7
Name 2-Phenyl-3-ethyl-7-nitro-1,4-benzoxathiine-4,4-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13NO5S
InChI InChI=1S/C16H13NO5S/c1-2-14-16(11-6-4-3-5-7-11)22-13-10-12(17(18)19)8-9-15(13)23(14,20)21/h3-10H,2H2,1H3
InChIKey VQGUZWJCJFNFPS-UHFFFAOYSA-N
Molecular Weight 331.342 g/mol
SMILES C=1(S(c2c(OC1c1ccccc1)cc(cc2)N(=O)=O)(=O)=O)CC
SPLASH splash10-00lr-0009000000-0c8faa36ca72679ea01f
Source of Spectrum SK-26-3985-3
Synonyms 3-Ethyl-7-nitro-2-phenyl-1,4-benzoxathiin 4,4-dioxide 3-Ethyl-7-nitro-2-phenyl-1,4-benzoxathiine 4,4-dioxide 3-Ethyl-7-nitro-2-phenyl-1,4$l^{6}-benzoxathiine 4,4-dioxide
Wiley ID 867447