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(3S,4AR,8AS)-3-BENZYLOXY-4A,5,8,8A-TETRAHYDRO-1H-2-BENZOPYRAN-4(3H)-ONE
SpectraBase Compound ID KadVHum6Skt
InChI InChI=1S/C16H18O3/c17-15-14-9-5-4-8-13(14)11-19-16(15)18-10-12-6-2-1-3-7-12/h1-7,13-14,16H,8-11H2/t13-,14-,16-/m1/s1
InChIKey WPLBWQQXIRXCKV-IIAWOOMASA-N
Mol Weight 258.32 g/mol
Molecular Formula C16H18O3
Exact Mass 258.125594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8cULkSZn5dc
Name (3S,4AR,8AS)-3-BENZYLOXY-4A,5,8,8A-TETRAHYDRO-1H-2-BENZOPYRAN-4(3H)-ONE
Compound Number 10A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H18O3
InChI InChI=1S/C16H18O3/c17-15-14-9-5-4-8-13(14)11-19-16(15)18-10-12-6-2-1-3-7-12/h1-7,13-14,16H,8-11H2/t13-,14-,16-/m1/s1
InChIKey WPLBWQQXIRXCKV-IIAWOOMASA-N
Literature Reference Author C.A.I.CAPACCIO,O.VARELA
Literature Reference Citation J.ORG.CHEM.,66,8859(2001)
Literature Reference DOI 10.1021/jo0106896
Molecular Weight 258.317 g/mol
Solvent CDCl3
Source File Reference UWLU29143