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3,3-Dimethyl-2-bicyclo[2.2.1]hept-5-enone
SpectraBase Compound ID 2xCwuD4YjA4
InChI InChI=1S/C9H12O/c1-9(2)7-4-3-6(5-7)8(9)10/h3-4,6-7H,5H2,1-2H3/t6-,7+/m0/s1
InChIKey DXNPGVCTOOFQOW-NKWVEPMBSA-N
Mol Weight 136.19 g/mol
Molecular Formula C9H12O
Exact Mass 136.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 70FnahKst5S
Name 3,3-Dimethyl-2-bicyclo[2.2.1]hept-5-enone
CAS Registry Number 51100-04-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O
InChI InChI=1S/C9H12O/c1-9(2)7-4-3-6(5-7)8(9)10/h3-4,6-7H,5H2,1-2H3/t6-,7+/m0/s1
InChIKey DXNPGVCTOOFQOW-NKWVEPMBSA-N
Molecular Weight 136.194 g/mol
SMILES C1(C([C@@]2(C[C@]1(C=C2)[H])[H])=O)(C)C
SPLASH splash10-006x-9100000000-3fa339979ed372548931
Source of Spectrum K-115-1257-0
Synonyms 3,3-Dimethylbicyclo[2.2.1]hept-5-en-2-one
Wiley ID 1136496