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1H-Inden-1-one, octahydro-6-(2-hydroxyethyl)-5,5-dimethyl-4-methylene-, [3aS-(3a.alpha.,6.beta.,7a.beta.)]-
SpectraBase Compound ID LfuEkJSFdaA
InChI InChI=1S/C14H22O2/c1-9-11-4-5-13(16)12(11)8-10(6-7-15)14(9,2)3/h10-12,15H,1,4-8H2,2-3H3/t10-,11-,12-/m1/s1
InChIKey RZAGVPBOLNNTJX-IJLUTSLNSA-N
Mol Weight 222.33 g/mol
Molecular Formula C14H22O2
Exact Mass 222.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ACXdBh70nNv
Name 1H-Inden-1-one, octahydro-6-(2-hydroxyethyl)-5,5-dimethyl-4-methylene-, [3aS-(3a.alpha.,6.beta.,7a.beta.)]-
CAS Registry Number 119347-52-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O2
InChI InChI=1S/C14H22O2/c1-9-11-4-5-13(16)12(11)8-10(6-7-15)14(9,2)3/h10-12,15H,1,4-8H2,2-3H3/t10-,11-,12-/m1/s1
InChIKey RZAGVPBOLNNTJX-IJLUTSLNSA-N
Molecular Weight 222.328 g/mol
SMILES OCC[C@@]1(C[C@@]2([C@@](C(C1(C)C)=C)(CCC2=O)[H])[H])[H]
SPLASH splash10-0a4i-5940000000-444a5326a49014d02862
Source of Spectrum F-44-6587-17
Synonyms (1RS,5S,8S)-8-hydroxyethyl-7,7-dimethyl-6-methylene-2-indanone (3aS,6S,7aR)-6-(2-hydroxyethyl)-5,5-dimethyl-4-methyleneoctahydro-1H-inden-1-one
Wiley ID 1222891