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(3aS,4S,7S,7aR)-2,2-Dimethyl-7-(2-oxoethyl)-4-(2-oxopropyl)-3a,6,7,7atetrahydro-4H-1,3-dioxolo[4,5-c]pyran

View entire compound with spectra: 1 MS (GC)

(3aS,4S,7S,7aR)-2,2-Dimethyl-7-(2-oxoethyl)-4-(2-oxopropyl)-3a,6,7,7atetrahydro-4H-1,3-dioxolo[4,5-c]pyran
SpectraBase Compound ID 1ckhnGU5x4F
InChI InChI=1S/C13H20O5/c1-8(15)6-10-12-11(17-13(2,3)18-12)9(4-5-14)7-16-10/h5,9-12H,4,6-7H2,1-3H3/t9-,10-,11+,12-/m0/s1
InChIKey XGUTUQHGLPFDCI-YFKTTZPYSA-N
Mol Weight 256.3 g/mol
Molecular Formula C13H20O5
Exact Mass 256.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2w8GRWTvXfO
Name (3aS,4S,7S,7aR)-2,2-Dimethyl-7-(2-oxoethyl)-4-(2-oxopropyl)-3a,6,7,7atetrahydro-4H-1,3-dioxolo[4,5-c]pyran
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O5
InChI InChI=1S/C13H20O5/c1-8(15)6-10-12-11(17-13(2,3)18-12)9(4-5-14)7-16-10/h5,9-12H,4,6-7H2,1-3H3/t9-,10-,11+,12-/m0/s1
InChIKey XGUTUQHGLPFDCI-YFKTTZPYSA-N
Molecular Weight 256.298 g/mol
SMILES [C@]12([C@](OC(O2)(C)C)([C@@](CC=O)(CO[C@]1(CC(=O)C)[H])[H])[H])[H]
SPLASH splash10-0006-9000000000-fe0ee04798256cb59021
Source of Spectrum F-50-10743-6
Synonyms 2-[(3aS,4S,7S,7aR)-2,2-dimethyl-4-(2-oxopropyl)-hexahydro-[1,3]dioxolo[4,5-c]pyran-7-yl]acetaldehyde
Wiley ID 789422