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(3E,5E)-3,5-Bis(4-methylbenzylidene)-tetrahydropyran-4-one
SpectraBase Compound ID HF9HgkT7Yoz
InChI InChI=1S/C21H20O2/c1-15-3-7-17(8-4-15)11-19-13-23-14-20(21(19)22)12-18-9-5-16(2)6-10-18/h3-12H,13-14H2,1-2H3/b19-11+,20-12+
InChIKey ATYNPNUVLVKRFM-AYKLPDECSA-N
Mol Weight 304.39 g/mol
Molecular Formula C21H20O2
Exact Mass 304.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GaCUlVl5pU8
Name (3E,5E)-3,5-Bis(4-methylbenzylidene)-tetrahydropyran-4-one
Alternate Name(s) 3,5-bis((E)-4-methylbenzylidene)tetrahydro-4H-pyran-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O2
InChI InChI=1S/C21H20O2/c1-15-3-7-17(8-4-15)11-19-13-23-14-20(21(19)22)12-18-9-5-16(2)6-10-18/h3-12H,13-14H2,1-2H3/b19-11+,20-12+
InChIKey ATYNPNUVLVKRFM-AYKLPDECSA-N
Literature Reference DOI 10.1002/hc.20252
Molecular Weight 304.389 g/mol
SMILES C1\C(C(\C(CO1)=C\c1ccc(cc1)C)=O)=C/c1ccc(cc1)C
SPLASH splash10-0159-0911000000-e98800d6afe6b20896d2
Source of Spectrum HAC-18-47-1c
Wiley ID 1783738