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1,1,3,3-D4-dihydro-2-ketomanoyl oxide
SpectraBase Compound ID 3zA68rbBsNC
InChI InChI=1S/C20H34O2/c1-7-18(4)10-8-16-19(5)13-14(21)12-17(2,3)15(19)9-11-20(16,6)22-18/h15-16H,7-13H2,1-6H3/t15-,16?,18+,19-,20+/m1/s1/i12D2,13D2
InChIKey AGMXJGARQYQFIR-QNDPYADYSA-N
Mol Weight 310.51 g/mol
Molecular Formula C20H302D4O2
Exact Mass 310.280987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1VdlBrozQ9G
Name 1,1,3,3-D4-dihydro-2-ketomanoyl oxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30D4O2
InChI InChI=1S/C20H34O2/c1-7-18(4)10-8-16-19(5)13-14(21)12-17(2,3)15(19)9-11-20(16,6)22-18/h15-16H,7-13H2,1-6H3/t15-,16?,18+,19-,20+/m1/s1/i12D2,13D2
InChIKey AGMXJGARQYQFIR-QNDPYADYSA-N
Molecular Weight 310.514 g/mol
SMILES [C@@]12(C3[C@@](O[C@](CC3)(CC)C)(CC[C@@]1(C(C([2D])([2D])C(C2([2D])[2D])=O)(C)C)[H])C)C
SPLASH splash10-01po-3090000000-d1c95753614a022bb855
Source of Spectrum Va-0-0-0
Synonyms 1,1,3,3-tetra-deutero-2-keto-manoyl oxide
Wiley ID 738942