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(3S,5R)-2,2,8-trimethyl-5-vinyl-4,5-dihydro-3H-1-benzoxepin-3,7-diol
SpectraBase Compound ID I6ioX4sFqxo
InChI InChI=1S/C15H20O3/c1-5-10-7-14(17)15(3,4)18-13-6-9(2)12(16)8-11(10)13/h5-6,8,10,14,16-17H,1,7H2,2-4H3/t10-,14-/m0/s1
InChIKey DYXGWEYZDXILMS-HZMBPMFUSA-N
Mol Weight 248.32 g/mol
Molecular Formula C15H20O3
Exact Mass 248.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LPgCvy1cVh5
Name (3S,5R)-2,2,8-trimethyl-5-vinyl-4,5-dihydro-3H-1-benzoxepin-3,7-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O3
InChI InChI=1S/C15H20O3/c1-5-10-7-14(17)15(3,4)18-13-6-9(2)12(16)8-11(10)13/h5-6,8,10,14,16-17H,1,7H2,2-4H3/t10-,14-/m0/s1
InChIKey DYXGWEYZDXILMS-HZMBPMFUSA-N
Molecular Weight 248.322 g/mol
SMILES O[C@@]1(C(Oc2cc(c(cc2[C@](C1)(C=C)[H])O)C)(C)C)[H]
SPLASH splash10-03di-0950000000-28cf1b16334e485dcdb1
Source of Spectrum J-59-8265-3
Synonyms (3S,5R)-2,2,8-trimethyl-5-vinyl-4,5-dihydro-3H-1-benzoxepine-3,7-diol (3S,5R)-5-ethenyl-2,2,8-trimethyl-4,5-dihydro-3H-1-benzoxepin-3,7-diol (3S,5R)-5-ethenyl-2,2,8-trimethyl-4,5-dihydro-3H-1-benzoxepine-3,7-diol
Wiley ID 1251445