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1H-Cycloprop[c]inden-4(5H)-one, 1a-(acetyloxy)hexahydro-3a-methyl-, (1a.alpha.,3a.alpha.,7aS*)-
SpectraBase Compound ID 45oiWw9wbM2
InChI InChI=1S/C13H18O3/c1-9(14)16-13-7-6-11(2)10(15)4-3-5-12(11,13)8-13/h3-8H2,1-2H3/t11-,12-,13-/m0/s1
InChIKey VXQVBIVYNSPJEX-AVGNSLFASA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 82AFPC7QQ8h
Name 1H-Cycloprop[c]inden-4(5H)-one, 1a-(acetyloxy)hexahydro-3a-methyl-, (1a.alpha.,3a.alpha.,7aS*)-
CAS Registry Number 62617-85-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-9(14)16-13-7-6-11(2)10(15)4-3-5-12(11,13)8-13/h3-8H2,1-2H3/t11-,12-,13-/m0/s1
InChIKey VXQVBIVYNSPJEX-AVGNSLFASA-N
Molecular Weight 222.284 g/mol
SMILES [C@]123[C@](OC(=O)C)(CC[C@]3(C(=O)CCC1)C)C2
SPLASH splash10-0007-9700000000-80687b8c1802c09e88ea
Source of Spectrum C-99-1964-0
Synonyms (1aS,3aR,7aS)-3a-methyl-4-oxohexahydro-1H-cyclopropa[c]inden-1a(2H)-yl acetate (1S*,3.alpha.,6.alpha.)-3-acetoxy-6-methyltricyclo[4.4.0.0(1.3)]decan-7-one
Wiley ID 1222558