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1,3,3-Trideutero-6-hydroxy-9-oxabicyclo[3.3.1]nonan-2-one

View entire compound with spectra: 2 MS (GC)

1,3,3-Trideutero-6-hydroxy-9-oxabicyclo[3.3.1]nonan-2-one
SpectraBase Compound ID 54rBpm2C6l0
InChI InChI=1S/C8H12O3/c9-5-1-3-7-6(10)2-4-8(5)11-7/h5,7-9H,1-4H2/t5-,7+,8-/m1/s1/i2D2,7D
InChIKey GUKXZHWRPPXJQD-TXVCXNGYSA-N
Mol Weight 159.2 g/mol
Molecular Formula C8H9D3O3
Exact Mass 159.097474 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6W8Qswu64oT
Name 1,3,3-Trideutero-6-hydroxy-9-oxabicyclo[3.3.1]nonan-2-one
CAS Registry Number 60378-16-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9D3O3
InChI InChI=1S/C8H12O3/c9-5-1-3-7-6(10)2-4-8(5)11-7/h5,7-9H,1-4H2/t5-,7+,8-/m1/s1/i2D2,7D
InChIKey GUKXZHWRPPXJQD-TXVCXNGYSA-N
Molecular Weight 159.199 g/mol
SMILES O[C@@]1(CC[C@]2(C(C(C[C@]1(O2)[H])([D])[D])=O)[D])[H]
SPLASH splash10-00di-9100000000-318d352560c2a03c514c
Wiley ID 1488154