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Ethanone, 1-[5-(acetyloxy)-4,7,7-trimethylbicyclo[4.1.0]hept-3-en-3-yl]-, [1R-(1.alpha.,5.alpha.,6.alpha.)]-
SpectraBase Compound ID 60q9yQ16h0B
InChI InChI=1S/C14H20O3/c1-7-10(8(2)15)6-11-12(14(11,4)5)13(7)17-9(3)16/h11-13H,6H2,1-5H3/t11?,12?,13-/m1/s1
InChIKey NXJGQUAPKMMJOH-WXRRBKDZSA-N
Mol Weight 236.31 g/mol
Molecular Formula C14H20O3
Exact Mass 236.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CB97pCwcyWW
Name Ethanone, 1-[5-(acetyloxy)-4,7,7-trimethylbicyclo[4.1.0]hept-3-en-3-yl]-, [1R-(1.alpha.,5.alpha.,6.alpha.)]-
CAS Registry Number 111074-76-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O3
InChI InChI=1S/C14H20O3/c1-7-10(8(2)15)6-11-12(14(11,4)5)13(7)17-9(3)16/h11-13H,6H2,1-5H3/t11?,12?,13-/m1/s1
InChIKey NXJGQUAPKMMJOH-WXRRBKDZSA-N
Molecular Weight 236.311 g/mol
SMILES C12C(C)(C)C2CC(=C([C@]1(OC(=O)C)[H])C)C(=O)C
SPLASH splash10-0006-9700000000-2494ee3c40956a2fef2d
Source of Spectrum F-42-5722-9
Synonyms (-)-4-acetyl-2.alpha.-acetoxy-3-carene (2S)-4-acetyl-3,7,7-trimethylbicyclo[4.1.0]hept-3-en-2-yl acetate
Wiley ID 1238384