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IHRURYWECZHMPR-NTMALXAHSA-N
SpectraBase Compound ID 548YnZVDYgn
InChI InChI=1S/C13H18O4/c1-9-10(8-11(14)16-2)12(15)17-13(9)6-4-3-5-7-13/h8-9H,3-7H2,1-2H3/b10-8-
InChIKey IHRURYWECZHMPR-NTMALXAHSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7K1R1uW5TDz
Name Acetic acid, (4-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ylidene)-, methyl ester, (Z)-
Alternate Name(s) (Z)-5,5-Pentanemethylene-4-methyldihydro-3-carbomethoxymethylene-2(3H)-furanone 1-Oxaspiro[4.5]decane, acetic acid deriv. methyl (2Z)-(4-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ylidene)ethanoate
CAS Registry Number 72163-22-5
Comments Less than 3 mono-isotopic peaks
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Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-9-10(8-11(14)16-2)12(15)17-13(9)6-4-3-5-7-13/h8-9H,3-7H2,1-2H3/b10-8-
InChIKey IHRURYWECZHMPR-NTMALXAHSA-N
Molecular Weight 238.283 g/mol
SMILES C1(\C(C(C2(O1)CCCCC2)C)=C/C(=O)OC)=O
SPLASH splash10-0006-0900000000-22b1c2a075222ff8861c
Source of Spectrum I-59-298-0
Wiley ID 1240476