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3-Oxabicyclo[4.1.0]heptan-2-one, 5-(methyl-D3)-, [1S-(1.alpha.,5.alpha.,6.alpha.)]-
SpectraBase Compound ID LB4b4GYs42F
InChI InChI=1S/C7H10O2/c1-4-3-9-7(8)6-2-5(4)6/h4-6H,2-3H2,1H3/t4-,5+,6+/m1/s1/i1D3
InChIKey NAYZEHULEYMULP-NXHOIMABSA-N
Mol Weight 129.17 g/mol
Molecular Formula C7H7D3O2
Exact Mass 129.08691 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ukMWgDokkA
Name 3-Oxabicyclo[4.1.0]heptan-2-one, 5-(methyl-D3)-, [1S-(1.alpha.,5.alpha.,6.alpha.)]-
Alternate Name(s) (1S,5S,6S)-exo-5-Methyl-3-oxabicyclo[4.1.0]heptan-2-one-8-D3
CAS Registry Number 125138-34-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H7D3O2
InChI InChI=1S/C7H10O2/c1-4-3-9-7(8)6-2-5(4)6/h4-6H,2-3H2,1H3/t4-,5+,6+/m1/s1/i1D3
InChIKey NAYZEHULEYMULP-NXHOIMABSA-N
Molecular Weight 129.173 g/mol
SMILES [C@]12([C@@]([C@](C([D])([D])[D])(COC2=O)[H])([H])C1)[H]
SPLASH splash10-007k-9000000000-7f658fdffe207a6ec5a1
Source of Spectrum C-113-4604-36
Wiley ID 1129992