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2-[(4-nitrophenyl)sulfanyl]-5-oxo-4-oxatricyclo[4.2.1.0(3,7)]nonane-9-carboxylic acid
SpectraBase Compound ID F4QcGs9Arh2
InChI InChI=1S/C15H13NO6S/c17-14(18)10-9-5-8-11(10)15(19)22-12(8)13(9)23-7-3-1-6(2-4-7)16(20)21/h1-4,8-13H,5H2,(H,17,18)
InChIKey IAZPUYOEEIBQDC-UHFFFAOYSA-N
Mol Weight 335.33 g/mol
Molecular Formula C15H13NO6S
Exact Mass 335.046358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6bTHAPzK5n0
Name 2-[(4-nitrophenyl)sulfanyl]-5-oxo-4-oxatricyclo[4.2.1.0(3,7)]nonane-9-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13NO6S
InChI InChI=1S/C15H13NO6S/c17-14(18)10-9-5-8-11(10)15(19)22-12(8)13(9)23-7-3-1-6(2-4-7)16(20)21/h1-4,8-13H,5H2,(H,17,18)
InChIKey IAZPUYOEEIBQDC-UHFFFAOYSA-N
Molecular Weight 335.330 g/mol
SMILES OC(=O)C1C2C(C3C(C1C(=O)O3)C2)Sc1ccc(cc1)N(=O)=O
SPLASH splash10-014i-7690000000-1110a7d7c4c004e74b47
Source of Spectrum IY-2-4995-8
Synonyms 4-Oxatricyclo[4.2.1.0(3,7)]nonane-9-carboxylic acid, 2-[(4-nitrophenyl)thio]-5-oxo-
Wiley ID 1657941