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trans-3-(2,2-Dimethylpropyl)-4,5,5-trimethyldihydro-2(3H)-furanone
SpectraBase Compound ID InNszBDb1Q
InChI InChI=1S/C12H22O2/c1-8-9(7-11(2,3)4)10(13)14-12(8,5)6/h8-9H,7H2,1-6H3/t8-,9-/m1/s1
InChIKey XPLMDJVOMUNQLO-RKDXNWHRSA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I6ufDK0gela
Name trans-3-(2,2-Dimethylpropyl)-4,5,5-trimethyldihydro-2(3H)-furanone
Alternate Name(s) (3R,4R)-4,5,5-trimethyl-3-neopentyldihydro-2(3H)-furanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-8-9(7-11(2,3)4)10(13)14-12(8,5)6/h8-9H,7H2,1-6H3/t8-,9-/m1/s1
InChIKey XPLMDJVOMUNQLO-RKDXNWHRSA-N
Molecular Weight 198.306 g/mol
SMILES C1(OC([C@@]([C@]1(CC(C)(C)C)[H])(C)[H])(C)C)=O
SPLASH splash10-0a4i-0900000000-6b792bd263af8628d3e9
Source of Spectrum C-118-9837-0
Wiley ID 760002