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3-Chloro-5-methoxy-7-nitro-benzo[b]thiophene-2-carboxylic acid 2-nitro-phenyl ester
SpectraBase Compound ID 3FfO390EGym
InChI InChI=1S/C16H9ClN2O7S/c1-25-8-6-9-13(17)15(27-14(9)11(7-8)19(23)24)16(20)26-12-5-3-2-4-10(12)18(21)22/h2-7H,1H3
InChIKey XBSVQWHKCKKGNG-UHFFFAOYSA-N
Mol Weight 408.77 g/mol
Molecular Formula C16H9ClN2O7S
Exact Mass 407.9819 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6D6wfClprAL
Name 3-Chloro-5-methoxy-7-nitro-benzo[b]thiophene-2-carboxylic acid 2-nitro-phenyl ester
Alternate Name(s) 2'-Nitrophenyl 3-chloro-7-nitrobenzo[b]thiophene-2-carboxylate 2-Nitrophenyl 3-chloro-5-methoxy-7-nitro-1-benzothiophene-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H9ClN2O7S
InChI InChI=1S/C16H9ClN2O7S/c1-25-8-6-9-13(17)15(27-14(9)11(7-8)19(23)24)16(20)26-12-5-3-2-4-10(12)18(21)22/h2-7H,1H3
InChIKey XBSVQWHKCKKGNG-UHFFFAOYSA-N
Molecular Weight 408.768 g/mol
SMILES c1(sc2c(N(=O)=O)cc(cc2c1Cl)OC)C(Oc1c(N(=O)=O)cccc1)=O
SPLASH splash10-0pba-2449100000-3620785374e95fe1e653
Source of Spectrum QA-69-531-0
Wiley ID 1576262