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4-(Phenylthio)-6-Carbomethoxybicyclo[4.4.0]deca-1,3-diene
SpectraBase Compound ID 7luDYKfKUii
InChI InChI=1S/C18H20O2S/c1-20-17(19)18-12-6-5-7-14(18)10-11-16(13-18)21-15-8-3-2-4-9-15/h2-4,8-11H,5-7,12-13H2,1H3
InChIKey OOEXLZBVMJVJPH-UHFFFAOYSA-N
Mol Weight 300.42 g/mol
Molecular Formula C18H20O2S
Exact Mass 300.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IpMGp7fpynx
Name 4-(Phenylthio)-6-Carbomethoxybicyclo[4.4.0]deca-1,3-diene
CAS Registry Number 85335-94-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O2S
InChI InChI=1S/C18H20O2S/c1-20-17(19)18-12-6-5-7-14(18)10-11-16(13-18)21-15-8-3-2-4-9-15/h2-4,8-11H,5-7,12-13H2,1H3
InChIKey OOEXLZBVMJVJPH-UHFFFAOYSA-N
Molecular Weight 300.416 g/mol
SMILES C12(C(=CC=C(C2)Sc2ccccc2)CCCC1)C(=O)OC
SPLASH splash10-0udl-9812000000-b286d7d840596f7b571f
Source of Spectrum J-50-4263-34
Synonyms Methyl 6-(phenylsulfanyl)-1,3,4,5-tetrahydro-4a(2H)-naphthalenecarboxylate
Wiley ID 1303014