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1,4-Methanocyclopenta[cd]pentalen-2(1H)-one, 2a,3,4,4a,6a,6b-hexahydro-7-methyl-, (1.alpha.,2a.beta.,4.alpha.,4a.beta.,6a.beta.,6b.beta.,7R*)-
SpectraBase Compound ID CY1NsuSp55W
InChI InChI=1S/C12H14O/c1-5-8-4-9-11-6(8)2-3-7(11)10(5)12(9)13/h2-3,5-11H,4H2,1H3/t5-,6-,7?,8+,9+,10-,11+/m0/s1
InChIKey GBJYCUSULJVZMD-VCZDPXNBSA-N
Mol Weight 174.24 g/mol
Molecular Formula C12H14O
Exact Mass 174.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lv6Do9RZXH8
Name 1,4-Methanocyclopenta[cd]pentalen-2(1H)-one, 2a,3,4,4a,6a,6b-hexahydro-7-methyl-, (1.alpha.,2a.beta.,4.alpha.,4a.beta.,6a.beta.,6b.beta.,7R*)-
CAS Registry Number 108957-29-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O
InChI InChI=1S/C12H14O/c1-5-8-4-9-11-6(8)2-3-7(11)10(5)12(9)13/h2-3,5-11H,4H2,1H3/t5-,6-,7?,8+,9+,10-,11+/m0/s1
InChIKey GBJYCUSULJVZMD-VCZDPXNBSA-N
Molecular Weight 174.243 g/mol
SMILES [C@@]12(C([C@]3([C@]4(C2C=C[C@]4([C@@]([C@@]1(C)[H])(C3)[H])[H])[H])[H])=O)[H]
SPLASH splash10-00kf-3900000000-a7e55a8181007c6e5cc8
Source of Spectrum AJ-59-2816-12
Synonyms 10-Methyltetracyclo[5.3.1.0(2,6).0(5,9)]undec-3-en-8-one 8-Methyltetracyclo[5.3.1.0(2,6).0(3,9)]undec-4-en-10-one
Wiley ID 1171065