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Bicyclo[2.2.2]octane, 7-methyl-2,3,5,6-tetrakis(methylene)-, (S)-
SpectraBase Compound ID Bl12BqmtX9T
InChI InChI=1S/C13H16/c1-7-6-12-8(2)10(4)13(7)11(5)9(12)3/h7,12-13H,2-6H2,1H3/t7-,12?,13?/m0/s1
InChIKey AWMHDJFNAPVJRD-VANPFNHASA-N
Mol Weight 172.27 g/mol
Molecular Formula C13H16
Exact Mass 172.125201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3OTHKiUEvYy
Name Bicyclo[2.2.2]octane, 7-methyl-2,3,5,6-tetrakis(methylene)-, (S)-
CAS Registry Number 91208-63-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16
InChI InChI=1S/C13H16/c1-7-6-12-8(2)10(4)13(7)11(5)9(12)3/h7,12-13H,2-6H2,1H3/t7-,12?,13?/m0/s1
InChIKey AWMHDJFNAPVJRD-VANPFNHASA-N
Molecular Weight 172.271 g/mol
SMILES C1(C(C2C(C(C1[C@](C2)(C)[H])=C)=C)=C)=C
SPLASH splash10-00ai-0900000000-f207a5cb2c6b6fabddcd
Source of Spectrum H-69-871-22
Synonyms (+)-(1R,4S,7S)-7-methyl-2,3,5,6-tetramethylidenebicyclo[2.2.2]octane (7S)-7-methyl-2,3,5,6-tetramethylenebicyclo[2.2.2]octane
Wiley ID 1169518