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Bicyclo[2.2.1]heptan-7-one-2,3-D2, 5-(acetyloxy)-, (exo,exo,exo)-
SpectraBase Compound ID Hp98K20Vca1
InChI InChI=1S/C9H12O3/c1-5(10)12-8-4-6-2-3-7(8)9(6)11/h6-8H,2-4H2,1H3/t6-,7-,8?/m1/s1/i2D,3D/t2-,3-,6+,7+,8?/m0
InChIKey KCUHAWDNYJLBHS-KLLRKOTGSA-N
Mol Weight 170.2 g/mol
Molecular Formula C9H10D2O3
Exact Mass 170.091198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HqGfTktHKNy
Name Bicyclo[2.2.1]heptan-7-one-2,3-D2, 5-(acetyloxy)-, (exo,exo,exo)-
Alternate Name(s) exo-D2-2-exo-Acetoxynorbornan-7-one
CAS Registry Number 79640-33-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10D2O3
InChI InChI=1S/C9H12O3/c1-5(10)12-8-4-6-2-3-7(8)9(6)11/h6-8H,2-4H2,1H3/t6-,7-,8?/m1/s1/i2D,3D/t2-,3-,6+,7+,8?/m0
InChIKey KCUHAWDNYJLBHS-KLLRKOTGSA-N
Molecular Weight 170.204 g/mol
SMILES [C@@]12(C([C@]([C@]([C@@]2([D])[H])([D])[H])(CC1OC(=O)C)[H])=O)[H]
SPLASH splash10-001i-9300000000-aec96613a4a15638d916
Source of Spectrum I-59-2113-0
Wiley ID 1164419