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Acetic acid, (2-phenyl-1-oxaspiro[2.5]oct-4-ylidene)-, methyl ester, [2.alpha.,3.beta.(E)]-
SpectraBase Compound ID BjEmVNDXNgB
InChI InChI=1S/C16H18O3/c1-18-14(17)11-13-9-5-6-10-16(13)15(19-16)12-7-3-2-4-8-12/h2-4,7-8,11,15H,5-6,9-10H2,1H3/b13-11+/t15-,16-/m1/s1
InChIKey LCVUEXSEMGWUAQ-SXRGSSEVSA-N
Mol Weight 258.32 g/mol
Molecular Formula C16H18O3
Exact Mass 258.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FX7wV6lszON
Name Acetic acid, (2-phenyl-1-oxaspiro[2.5]oct-4-ylidene)-, methyl ester, [2.alpha.,3.beta.(E)]-
CAS Registry Number 70388-69-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O3
InChI InChI=1S/C16H18O3/c1-18-14(17)11-13-9-5-6-10-16(13)15(19-16)12-7-3-2-4-8-12/h2-4,7-8,11,15H,5-6,9-10H2,1H3/b13-11+/t15-,16-/m1/s1
InChIKey LCVUEXSEMGWUAQ-SXRGSSEVSA-N
Molecular Weight 258.317 g/mol
SMILES [C@@]12(O[C@@]2(c2ccccc2)[H])\C(=C\C(=O)OC)CCCC1
SPLASH splash10-0fba-6900000000-00306503b6ce46794cac
Source of Spectrum K-113-896-0
Synonyms 1-Oxaspiro[2.5]octane, acetic acid deriv. 4-(e-methoxycarbonylmethylene)-2(E)-phenyl-1-oxaspiro[2.5]octane Methyl (2E)-[(2R,3R)-2-phenyl-1-oxaspiro[2.5]oct-4-ylidene]ethanoate
Wiley ID 1262032