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trans-3-Acetyl-5,5-dimethyl-4-n-pentyldihydro-2(3H)-furanone
SpectraBase Compound ID 8RJHdJuBrco
InChI InChI=1S/C13H22O3/c1-5-6-7-8-10-11(9(2)14)12(15)16-13(10,3)4/h10-11H,5-8H2,1-4H3/t10-,11-/m1/s1
InChIKey HWWGUIXOVWSCCB-GHMZBOCLSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J7XUHGz9KTZ
Name trans-3-Acetyl-5,5-dimethyl-4-n-pentyldihydro-2(3H)-furanone
Alternate Name(s) (3S,4R)-3-acetyl-5,5-dimethyl-4-pentyldihydro-2(3H)-furanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-5-6-7-8-10-11(9(2)14)12(15)16-13(10,3)4/h10-11H,5-8H2,1-4H3/t10-,11-/m1/s1
InChIKey HWWGUIXOVWSCCB-GHMZBOCLSA-N
Molecular Weight 226.316 g/mol
SMILES C1([C@@]([C@@](CCCCC)(C(O1)(C)C)[H])(C(=O)C)[H])=O
SPLASH splash10-0bt9-9800000000-73ffba01f891cf4aaf22
Source of Spectrum C-115-963-9
Wiley ID 1227640