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4,7-Epoxy-1H-inden-1-one, 3-ethoxy-3a,4,7,7a-tetrahydro-2-[(1-methylethoxy)methyl]-, (3a.alpha.,4.beta.,7.beta.,7a.alpha.)-
SpectraBase Compound ID 8RLOotoN8Ni
InChI InChI=1S/C15H20O4/c1-4-17-15-9(7-18-8(2)3)14(16)12-10-5-6-11(19-10)13(12)15/h5-6,8,10-13H,4,7H2,1-3H3/t10-,11+,12-,13+/m1/s1
InChIKey CIBTYOYEXGHDQV-XQHKEYJVSA-N
Mol Weight 264.32 g/mol
Molecular Formula C15H20O4
Exact Mass 264.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 329g4HTTWH0
Name 4,7-Epoxy-1H-inden-1-one, 3-ethoxy-3a,4,7,7a-tetrahydro-2-[(1-methylethoxy)methyl]-, (3a.alpha.,4.beta.,7.beta.,7a.alpha.)-
CAS Registry Number 112698-53-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O4
InChI InChI=1S/C15H20O4/c1-4-17-15-9(7-18-8(2)3)14(16)12-10-5-6-11(19-10)13(12)15/h5-6,8,10-13H,4,7H2,1-3H3/t10-,11+,12-,13+/m1/s1
InChIKey CIBTYOYEXGHDQV-XQHKEYJVSA-N
Molecular Weight 264.321 g/mol
SMILES C1(=C([C@]2([C@@]3(C=C[C@]([C@]2(C1=O)[H])(O3)[H])[H])[H])OCC)COC(C)C
SPLASH splash10-0550-3900000000-e15f05b018fd1da37f47
Source of Spectrum F-45-7123-17
Synonyms (1R,2S,6R,7S)-5-ethoxy-4-(isopropoxymethyl)-10-oxatricyclo[5.2.1.0(2,6)]deca-4,8-dien-3-one 5-Ethoxy-4iso-propyloxymethyl-exo-10-oxatricyclo[5.2.1.0(2,6)[deca-4,8-dien-3-one
Wiley ID 1267988