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5H-Inden-5-one, 3-(dimethoxymethyl)-3,3a,4,6,7,7a-hexahydro-6-hydroxy-, (3.alpha.,3a.beta.,7a.beta.)-(.+-.)-
SpectraBase Compound ID L1Z4gAzlJyo
InChI InChI=1S/C12H18O4/c1-15-12(16-2)8-4-3-7-5-10(13)11(14)6-9(7)8/h3-4,7-10,12-13H,5-6H2,1-2H3/t7-,8?,9+,10?/m1/s1
InChIKey XFHYXHDOTIQNDN-RJQCTPFPSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7T7Dwaby61C
Name 5H-Inden-5-one, 3-(dimethoxymethyl)-3,3a,4,6,7,7a-hexahydro-6-hydroxy-, (3.alpha.,3a.beta.,7a.beta.)-(.+-.)-
CAS Registry Number 121866-42-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-15-12(16-2)8-4-3-7-5-10(13)11(14)6-9(7)8/h3-4,7-10,12-13H,5-6H2,1-2H3/t7-,8?,9+,10?/m1/s1
InChIKey XFHYXHDOTIQNDN-RJQCTPFPSA-N
Molecular Weight 226.272 g/mol
SMILES OC1C(C[C@@]2(C(C=C[C@@]2(C1)[H])C(OC)OC)[H])=O
SPLASH splash10-03fs-4900000000-d80b6c12768017401a0e
Source of Spectrum J-54-4087-19
Synonyms (3aS,7aS)-3-(dimethoxymethyl)-6-hydroxy-3,3a,4,6,7,7a-hexahydro-5H-inden-5-one 4-Hydroxy-9-endo-(dimethoxymethyl)-cis-bicyclo[4.3.0]-non-7-en-3-one
Wiley ID 1227313