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trans-3-(Ethoxycarbonyl)-2-methyl-4-butanolide-4-spirocyclopentane
SpectraBase Compound ID IaEenMonkl7
InChI InChI=1S/C12H18O4/c1-3-15-11(14)9-8(2)10(13)16-12(9)6-4-5-7-12/h8-9H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKey IAYKNVDKUAYURB-BDAKNGLRSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8PQD5rxaJSE
Name trans-3-(Ethoxycarbonyl)-2-methyl-4-butanolide-4-spirocyclopentane
Alternate Name(s) Ethyl (3R,4R)-3-methyl-2-oxo-1-oxaspiro[4.4]nonane-4-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-3-15-11(14)9-8(2)10(13)16-12(9)6-4-5-7-12/h8-9H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKey IAYKNVDKUAYURB-BDAKNGLRSA-N
Molecular Weight 226.272 g/mol
SMILES [C@]1(C2(OC([C@@]1(C)[H])=O)CCCC2)(C(=O)OCC)[H]
SPLASH splash10-066r-4900000000-789198b0812800c9ad7f
Source of Spectrum F-49-1600-13
Wiley ID 1227386