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Bicyclo[2.2.2]octanone-3-D, 5,6,7,8-tetrakis(methylene)-, (R)-
SpectraBase Compound ID 6ML6AdD4wkn
InChI InChI=1S/C12H12O/c1-6-8(3)12-9(4)7(2)10(6)5-11(12)13/h10,12H,1-5H2/t10-,12+/i5D/t5-,10-,12+/m1/s1
InChIKey LUIBZNQWIUUZHF-MKLZEEETSA-N
Mol Weight 173.23 g/mol
Molecular Formula C12H11DO
Exact Mass 173.095092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kdq37YI1CHK
Name Bicyclo[2.2.2]octanone-3-D, 5,6,7,8-tetrakis(methylene)-, (R)-
Alternate Name(s) (-)-(3R)-5,6,7,8-Tetramethylidene(3-D)-2-bicyclo[2.2.2]octanine
CAS Registry Number 105865-32-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11DO
InChI InChI=1S/C12H12O/c1-6-8(3)12-9(4)7(2)10(6)5-11(12)13/h10,12H,1-5H2/t10-,12+/i5D/t5-,10-,12+/m1/s1
InChIKey LUIBZNQWIUUZHF-MKLZEEETSA-N
Molecular Weight 173.233 g/mol
SMILES C1(C([C@]2(C(C([C@@]1(C([C@@]2([D])[H])=O)[H])=C)=C)[H])=C)=C
SPLASH splash10-00c0-0900000000-7b874252afe5389cb65c
Source of Spectrum H-69-280-65526
Wiley ID 1169465