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2-Propyn-1-one, 1-(hexahydro-1-methyl-3a(1H)-pentalenyl)-, (1.alpha.,3a.alpha.,6a.alpha.)-(.+-.)-
SpectraBase Compound ID IMH157g4yXv
InChI InChI=1S/C12H16O/c1-3-11(13)12-7-4-5-10(12)9(2)6-8-12/h1,9-10H,4-8H2,2H3/t9-,10+,12+/m0/s1
InChIKey WSRXETDFFFBSOF-HOSYDEDBSA-N
Mol Weight 176.26 g/mol
Molecular Formula C12H16O
Exact Mass 176.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fu8Zr3RqMzb
Name 2-Propyn-1-one, 1-(hexahydro-1-methyl-3a(1H)-pentalenyl)-, (1.alpha.,3a.alpha.,6a.alpha.)-(.+-.)-
CAS Registry Number 77546-59-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O
InChI InChI=1S/C12H16O/c1-3-11(13)12-7-4-5-10(12)9(2)6-8-12/h1,9-10H,4-8H2,2H3/t9-,10+,12+/m0/s1
InChIKey WSRXETDFFFBSOF-HOSYDEDBSA-N
Molecular Weight 176.259 g/mol
SMILES [C@@]12([C@@]([C@@](C)(CC2)[H])(CCC1)[H])C(C#C)=O
SPLASH splash10-00sl-9300000000-e2d170c4f77db1d1171b
Source of Spectrum H-64-1130-0
Synonyms (1R*,4R*,5R*)-1-propioloyl-4-methylbicyclo[3.3.0]octane 1-((1S,3aR,6aR)-1-methylhexahydro-3a(1H)-pentalenyl)-2-propyn-1-one
Wiley ID 1172679