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Methyl 2-Phenyl-4,5,6,7-tetrahydrobenzofuran-3-carboxylate
SpectraBase Compound ID 9ubJpZ5iIG7
InChI InChI=1S/C16H16O3/c1-18-16(17)14-12-9-5-6-10-13(12)19-15(14)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3
InChIKey XHXHJKRCQNBUIT-UHFFFAOYSA-N
Mol Weight 256.3 g/mol
Molecular Formula C16H16O3
Exact Mass 256.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KgIrIaFPINV
Name Methyl 2-Phenyl-4,5,6,7-tetrahydrobenzofuran-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O3
InChI InChI=1S/C16H16O3/c1-18-16(17)14-12-9-5-6-10-13(12)19-15(14)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3
InChIKey XHXHJKRCQNBUIT-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo301628n
Molecular Weight 256.301 g/mol
SMILES c1(oc2c(c1C(OC)=O)CCCC2)-c1ccccc1
SPLASH splash10-0a4i-2790000000-b35eeddefdca9474b526
Source of Spectrum J-77-8665-2n
Synonyms Methyl 2-phenyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate
Wiley ID 1747074