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Methyl [(2S,3S,4aR,8aR)-3-phenyloctahydro-1,4-benzodioxin-2-yl]acetate
SpectraBase Compound ID KXElYEKwOjb
InChI InChI=1S/C17H22O4/c1-19-16(18)11-15-17(12-7-3-2-4-8-12)21-14-10-6-5-9-13(14)20-15/h2-4,7-8,13-15,17H,5-6,9-11H2,1H3/t13-,14-,15+,17+/m1/s1
InChIKey ILRRJAQBZZODBC-AIANPOQGSA-N
Mol Weight 290.36 g/mol
Molecular Formula C17H22O4
Exact Mass 290.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GYcVRLYG9J8
Name Methyl [(2S,3S,4aR,8aR)-3-phenyloctahydro-1,4-benzodioxin-2-yl]acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O4
InChI InChI=1S/C17H22O4/c1-19-16(18)11-15-17(12-7-3-2-4-8-12)21-14-10-6-5-9-13(14)20-15/h2-4,7-8,13-15,17H,5-6,9-11H2,1H3/t13-,14-,15+,17+/m1/s1
InChIKey ILRRJAQBZZODBC-AIANPOQGSA-N
Molecular Weight 290.359 g/mol
SMILES C(C[C@@]1(O[C@]2([C@](O[C@]1(c1ccccc1)[H])(CCCC2)[H])[H])[H])(=O)OC
SPLASH splash10-07bf-3900000000-97b4f360291c4200e39d
Source of Spectrum KD-14-1101-6
Wiley ID 1636024