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2,4,7-Metheno-3H-cyclopenta[a]pentalen-3-one, decahydro-4-D-
SpectraBase Compound ID 5lDhSgtZL1P
InChI InChI=1S/C12H14O/c13-12-7-3-6-9-4-1-2-5(10(7)9)8(4)11(6)12/h4-11H,1-3H2/t4-,5+,6+,7-,8-,9+,10-,11+/m0/s1/i5D
InChIKey FKNOFPUQDWBKMS-LUMXHZFUSA-N
Mol Weight 175.25 g/mol
Molecular Formula C12H13DO
Exact Mass 175.110742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BxdSvIN8gQR
Name 2,4,7-Metheno-3H-cyclopenta[a]pentalen-3-one, decahydro-4-D-
Alternate Name(s) [10-D]-Pentacyclo[6.4.0.0(2,10).0(3,7).0(5,9)]dodecan-4-one [4-D]-Decahydro-2,4,7-metheno-1H-cyclopenta[a]pentalen-3-one
CAS Registry Number 100693-32-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13DO
InChI InChI=1S/C12H14O/c13-12-7-3-6-9-4-1-2-5(10(7)9)8(4)11(6)12/h4-11H,1-3H2/t4-,5+,6+,7-,8-,9+,10-,11+/m0/s1/i5D
InChIKey FKNOFPUQDWBKMS-LUMXHZFUSA-N
Molecular Weight 175.249 g/mol
SMILES [C@]12(C([C@]3(C[C@@]1([C@@]1([C@]3([C@]3([C@@]2([C@@]1(CC3)[H])[H])[D])[H])[H])[H])[H])=O)[H]
SPLASH splash10-00fr-0900000000-66f261bad60c03dccc4d
Source of Spectrum K-118-4995-37
Wiley ID 1171107