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Bicyclo[3.1.1]heptan-2-one-4-D, 6,6-dimethyl-, [1R-(1.alpha.,4.alpha.,5.alpha.)]-
SpectraBase Compound ID 10RJ3ooRd5L
InChI InChI=1S/C9H14O/c1-9(2)6-3-4-8(10)7(9)5-6/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1/i3D/t3-,6-,7-
InChIKey XZFDKWMYCUEKSS-PHIUUIKTSA-N
Mol Weight 139.22 g/mol
Molecular Formula C9H13DO
Exact Mass 139.110742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9N4h4mUHdPo
Name Bicyclo[3.1.1]heptan-2-one-4-D, 6,6-dimethyl-, [1R-(1.alpha.,4.alpha.,5.alpha.)]-
Alternate Name(s) (+)-(4R)-4-Deuterionopinone
CAS Registry Number 73687-77-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13DO
InChI InChI=1S/C9H14O/c1-9(2)6-3-4-8(10)7(9)5-6/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1/i3D/t3-,6-,7-
InChIKey XZFDKWMYCUEKSS-PHIUUIKTSA-N
Molecular Weight 139.216 g/mol
SMILES [C@@]12(C(C)(C)[C@](C2)([H])[C@@](CC1=O)([D])[H])[H]
SPLASH splash10-053r-9000000000-d3ac9a58dbba1b0b89ce
Source of Spectrum J-45-2684-0
Wiley ID 1138091