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9-Phenylsulfanylmethyl-1,4-dioxaspiro[4.4]nonane-7,7-dicarboxylic acid dimethyl ester
SpectraBase Compound ID H3PE19Kxx5U
InChI InChI=1S/C18H22O6S/c1-21-15(19)17(16(20)22-2)10-13(18(12-17)23-8-9-24-18)11-25-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3
InChIKey AQVCVMKFTSAGJU-UHFFFAOYSA-N
Mol Weight 366.43 g/mol
Molecular Formula C18H22O6S
Exact Mass 366.11371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4KNoZAQMDI
Name 9-Phenylsulfanylmethyl-1,4-dioxaspiro[4.4]nonane-7,7-dicarboxylic acid dimethyl ester
Alternate Name(s) Dimethyl 9-((phenylthio)methyl)-1,4-dioxaspiro[4.4]nonane-7,7-dicarboxylate
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Formula C18H22O6S
InChI InChI=1S/C18H22O6S/c1-21-15(19)17(16(20)22-2)10-13(18(12-17)23-8-9-24-18)11-25-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3
InChIKey AQVCVMKFTSAGJU-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200505211
Molecular Weight 366.428 g/mol
SMILES C1OC2(OC1)CC(CC2CSc1ccccc1)(C(=O)OC)C(=O)OC
SPLASH splash10-05fr-9351000000-6cfb53c73c6d738af442
Source of Spectrum ASC-347-1587/SM9-3b
Wiley ID 1767764