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4-Oxatricyclo[4.2.1.0(3,7)]nonane-9-carboxylic acid, 5-oxo-2-(phenylthio)-
SpectraBase Compound ID DIaTdp69ImD
InChI InChI=1S/C15H14O4S/c16-14(17)10-9-6-8-11(10)15(18)19-12(8)13(9)20-7-4-2-1-3-5-7/h1-5,8-13H,6H2,(H,16,17)
InChIKey QGDUFGHDYAYOLT-UHFFFAOYSA-N
Mol Weight 290.33 g/mol
Molecular Formula C15H14O4S
Exact Mass 290.06128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KNJsoiWcKE9
Name 4-Oxatricyclo[4.2.1.0(3,7)]nonane-9-carboxylic acid, 5-oxo-2-(phenylthio)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14O4S
InChI InChI=1S/C15H14O4S/c16-14(17)10-9-6-8-11(10)15(18)19-12(8)13(9)20-7-4-2-1-3-5-7/h1-5,8-13H,6H2,(H,16,17)
InChIKey QGDUFGHDYAYOLT-UHFFFAOYSA-N
Molecular Weight 290.333 g/mol
SMILES OC(=O)C1C2C(C3C(C1C(=O)O3)C2)Sc1ccccc1
SPLASH splash10-00di-6910000000-4bc5039e76f949fc6f31
Source of Spectrum IY-2-5217-2
Synonyms 5-Oxo-2-(phenylsulfanyl)-4-oxatricyclo[4.2.1.0(3,7)]nonane-9-carboxylic acid
Wiley ID 1660155