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Ethanone, 1-[3a,4,5,6,7,7a-hexahydro-5-(2-hydroxyethyl)-6,6-dimethyl-7-methylene-1H-inden-3-yl]-, [3aR-(3a.alpha.,5.alpha.,7a.beta.)]-
SpectraBase Compound ID BMTepoqOIjF
InChI InChI=1S/C16H24O2/c1-10-13-5-6-14(11(2)18)15(13)9-12(7-8-17)16(10,3)4/h5-6,12-15,17H,1,7-9H2,2-4H3/t12-,13-,14?,15-/m1/s1
InChIKey YRJGVVJMYCWLGV-QKGHYUKFSA-N
Mol Weight 248.37 g/mol
Molecular Formula C16H24O2
Exact Mass 248.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F9G7r839JoD
Name Ethanone, 1-[3a,4,5,6,7,7a-hexahydro-5-(2-hydroxyethyl)-6,6-dimethyl-7-methylene-1H-inden-3-yl]-, [3aR-(3a.alpha.,5.alpha.,7a.beta.)]-
CAS Registry Number 119347-48-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O2
InChI InChI=1S/C16H24O2/c1-10-13-5-6-14(11(2)18)15(13)9-12(7-8-17)16(10,3)4/h5-6,12-15,17H,1,7-9H2,2-4H3/t12-,13-,14?,15-/m1/s1
InChIKey YRJGVVJMYCWLGV-QKGHYUKFSA-N
Molecular Weight 248.366 g/mol
SMILES OCC[C@@]1(C[C@@]2([C@@](C(C1(C)C)=C)(C=CC2C(=O)C)[H])[H])[H]
SPLASH splash10-0532-6950000000-1e7d95dea0c221d483ec
Source of Spectrum F-44-6587-13
Synonyms (3aR,5S,7aS)-3-acetyl-5-hydroxyethyl-6,6-dimethyl-7-methylene-3a,4,5,6,7,7a-hexahydroindene 1-[(3aS,6S,7aR)-6-(2-hydroxyethyl)-5,5-dimethyl-4-methylene-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]ethanone
Wiley ID 1251641