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5H-Inden-5-one, octahydro-7a-(2-hydroxyethyl)-1,4,4-trimethyl-, [1R-(1.alpha.,3a.beta.,7a.beta.)]-
SpectraBase Compound ID 7HS67Ht867H
InChI InChI=1S/C14H24O2/c1-10-4-5-11-13(2,3)12(16)6-7-14(10,11)8-9-15/h10-11,15H,4-9H2,1-3H3/t10-,11-,14+/m1/s1
InChIKey XDVKUFIXMRXMFV-GYSYKLTISA-N
Mol Weight 224.34 g/mol
Molecular Formula C14H24O2
Exact Mass 224.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ojm4zaybnZ
Name 5H-Inden-5-one, octahydro-7a-(2-hydroxyethyl)-1,4,4-trimethyl-, [1R-(1.alpha.,3a.beta.,7a.beta.)]-
CAS Registry Number 128790-34-1
Comments Removed - expert review: contamination (sulfur))
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H24O2
InChI InChI=1S/C14H24O2/c1-10-4-5-11-13(2,3)12(16)6-7-14(10,11)8-9-15/h10-11,15H,4-9H2,1-3H3/t10-,11-,14+/m1/s1
InChIKey XDVKUFIXMRXMFV-GYSYKLTISA-N
Molecular Weight 224.344 g/mol
SMILES OCC[C@]12[C@@](C(C)(C)C(CC2)=O)(CC[C@]1(C)[H])[H]
SPLASH splash10-03dl-8900000000-fb1e1fb9afd92c28eba3
Source of Spectrum F-46-771-34
Synonyms (1R,3aS,7aS)-7a-(2-hydroxyethyl)-1,4,4-trimethyloctahydro-5H-inden-5-one (1R,3aS,7aS)-7a-hydroxyethyl-1,4,4-trimethylhexahydrindan-5-one
Wiley ID 1225639