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3-Benzofurancarboxylic acid, 2,3,4,5,6,7-hexahydro-2-phenyl-, methyl ester, cis-
SpectraBase Compound ID BBJrTtQySLD
InChI InChI=1S/C16H18O3/c1-18-16(17)14-12-9-5-6-10-13(12)19-15(14)11-7-3-2-4-8-11/h2-4,7-8,14-15H,5-6,9-10H2,1H3/t14-,15-/m1/s1
InChIKey BYVCSWUPUXFRGC-HUUCEWRRSA-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 HLd9zB6oZPe
Name 3-Benzofurancarboxylic acid, 2,3,4,5,6,7-hexahydro-2-phenyl-, methyl ester, cis-
Alternate Name(s) Methyl (2S,3R)-2-phenyl-2,3,4,5,6,7-hexahydro-1-benzofuran-3-carboxylate Methyl ester of cis-2-pheyl-2,3,4,5,6,7-hexahydrobenzofuran-3-carboxylic acid
CAS Registry Number 70388-73-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O3
InChI InChI=1S/C16H18O3/c1-18-16(17)14-12-9-5-6-10-13(12)19-15(14)11-7-3-2-4-8-11/h2-4,7-8,14-15H,5-6,9-10H2,1H3/t14-,15-/m1/s1
InChIKey BYVCSWUPUXFRGC-HUUCEWRRSA-N
Molecular Weight 258.317 g/mol
SMILES [C@]1([C@](OC2=C1CCCC2)(c1ccccc1)[H])(C(=O)OC)[H]
SPLASH splash10-002b-5920000000-fcf17afac1a370c2b831
Source of Spectrum K-113-897-0
Wiley ID 1262027