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1H-Cyclopenta[1,3]cyclopropa[1,2]benzen-6(7H)-one, 3a-(acetyloxy)hexahydro-3b-methyl-, (3a.alpha.,3b.alpha.,7aR*)-
SpectraBase Compound ID EidpbvgQ1Vy
InChI InChI=1S/C13H18O3/c1-9(14)16-13-6-3-5-12(13)8-10(15)4-7-11(12,13)2/h3-8H2,1-2H3/t11-,12-,13-/m1/s1
InChIKey KYLSZTZXNCEWGE-JHJVBQTASA-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 GDJQZ0uqQUA
Name 1H-Cyclopenta[1,3]cyclopropa[1,2]benzen-6(7H)-one, 3a-(acetyloxy)hexahydro-3b-methyl-, (3a.alpha.,3b.alpha.,7aR*)-
Alternate Name(s) (1R*,5.alpha.,6.beta.)-5-acetoxy-6-methyltricyclo-[4.4.0.0(1,5)]decan-9-one (3aR,3bR,7aR)-3b-methyl-6-oxohexahydro-1H-cyclopenta[2,3]cyclopropa[1,2-a]benzen-3a(3bH)-yl acetate
CAS Registry Number 62648-64-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-9(14)16-13-6-3-5-12(13)8-10(15)4-7-11(12,13)2/h3-8H2,1-2H3/t11-,12-,13-/m1/s1
InChIKey KYLSZTZXNCEWGE-JHJVBQTASA-N
Molecular Weight 222.284 g/mol
SMILES [C@@]12([C@@]3(CC(=O)CC[C@@]23C)CCC1)OC(=O)C
SPLASH splash10-0006-7900000000-a2d6b42c7483069124ec
Source of Spectrum C-99-1964-0
Wiley ID 1222559