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1,4-Dioxaspiro[4.4]nonane-7-carboxylic acid, 7-[(4-methoxy-4-oxobutyl)thio]-, methyl ester, (.+-.)-
SpectraBase Compound ID 5cnUpSvsL0S
InChI InChI=1S/C14H22O6S/c1-17-11(15)4-3-9-21-13(12(16)18-2)5-6-14(10-13)19-7-8-20-14/h3-10H2,1-2H3
InChIKey IYIODOURBRVUEM-UHFFFAOYSA-N
Mol Weight 318.38 g/mol
Molecular Formula C14H22O6S
Exact Mass 318.11371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eay17cFLWYM
Name 1,4-Dioxaspiro[4.4]nonane-7-carboxylic acid, 7-[(4-methoxy-4-oxobutyl)thio]-, methyl ester, (.+-.)-
CAS Registry Number 121452-14-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O6S
InChI InChI=1S/C14H22O6S/c1-17-11(15)4-3-9-21-13(12(16)18-2)5-6-14(10-13)19-7-8-20-14/h3-10H2,1-2H3
InChIKey IYIODOURBRVUEM-UHFFFAOYSA-N
Molecular Weight 318.384 g/mol
SMILES C1(CC2(OCCO2)CC1)(C(=O)OC)SCCCC(=O)OC
SPLASH splash10-000i-3900000000-4da487c7fcc5a15bf3b5
Source of Spectrum F-44-2563-4
Synonyms 8-(methoxy)carbonyl-8-(4-methoxy-4-oxybutyl)thio-1,4-dioxqaspiro[4.4]nonane Methyl 7-[(4-methoxy-4-oxobutyl)sulfanyl]-1,4-dioxaspiro[4.4]nonane-7-carboxylate
Wiley ID 1318113