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1H-Inden-1-one, 4-(acetyloxy)-2,3,3a,6,7,7a-hexahydro-3a,7a-dimethyl-, trans-
SpectraBase Compound ID 1jw6flfFVWC
InChI InChI=1S/C13H18O3/c1-9(14)16-11-5-4-7-12(2)10(15)6-8-13(11,12)3/h5H,4,6-8H2,1-3H3/t12-,13+/m1/s1
InChIKey OPAIVDSTCSZUJE-OLZOCXBDSA-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 37fuAiBwIK
Name 1H-Inden-1-one, 4-(acetyloxy)-2,3,3a,6,7,7a-hexahydro-3a,7a-dimethyl-, trans-
CAS Registry Number 62617-86-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-9(14)16-11-5-4-7-12(2)10(15)6-8-13(11,12)3/h5H,4,6-8H2,1-3H3/t12-,13+/m1/s1
InChIKey OPAIVDSTCSZUJE-OLZOCXBDSA-N
Molecular Weight 222.284 g/mol
SMILES [C@]12([C@@](C(=O)CC2)(CCC=C1OC(=O)C)C)C
SPLASH splash10-00l6-4900000000-228cbefe80fce7a90cd7
Source of Spectrum C-99-1964-0
Synonyms (3aR,7aS)-3a,7a-dimethyl-1-oxo-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl acetate 2-Acetoxy-trans-1,6-dimethylbicyclo(4.3.0)non-2-en-7-one
Wiley ID 1222538