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1,4-Dioxaspiro[4.4]nonane, 2-butenoic acid deriv.
SpectraBase Compound ID 4lKIDcSUrER
InChI InChI=1S/C20H30O6/c1-3-24-19(23)10-9-18(22)17-14-20(25-11-12-26-20)13-16(17)8-6-4-5-7-15(2)21/h6,8-10,15-17,21H,3-5,7,11-14H2,1-2H3/b8-6-,10-9+
InChIKey PCDGZOHZSCIGBW-JWJWWGMXSA-N
Mol Weight 366.45 g/mol
Molecular Formula C20H30O6
Exact Mass 366.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Arm45WUmzrl
Name 1,4-Dioxaspiro[4.4]nonane, 2-butenoic acid deriv.
CAS Registry Number 65781-48-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O6
InChI InChI=1S/C20H30O6/c1-3-24-19(23)10-9-18(22)17-14-20(25-11-12-26-20)13-16(17)8-6-4-5-7-15(2)21/h6,8-10,15-17,21H,3-5,7,11-14H2,1-2H3/b8-6-,10-9+
InChIKey PCDGZOHZSCIGBW-JWJWWGMXSA-N
Molecular Weight 366.454 g/mol
SMILES OC(CCC\C=C/C1CC2(CC1C(\C=C\C(=O)OCC)=O)OCCO2)C
SPLASH splash10-01p9-9061000000-597b590ad8bf29dceb39
Source of Spectrum AH-108-1409-0
Synonyms 2-Butenoic acid, 4-[8-(6-hydroxy-1-heptenyl)-1,4-dioxaspiro[4.4]non-7-yl]-4-oxo-, ethyl ester Ethyl (2E)-4-{8-[(1Z)-6-hydroxy-1-heptenyl]-1,4-dioxaspiro[4.4]non-7-yl}-4-oxo-2-butenoate Ethyl ester of 8-(6-hydroxy-1-heptenyl)-1,4-dioxaspiro[4.5]decane-.gamma.-oxobutenic acid
Wiley ID 1351943