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5-HYDROXY-2-(8'-PHENYLOCTYL)-4H-BENZOPYRAN-4-ONE(CASTANONE)
SpectraBase Compound ID LcTAxjSoBpH
InChI InChI=1S/C23H26O3/c24-20-15-10-16-22-23(20)21(25)17-19(26-22)14-9-4-2-1-3-6-11-18-12-7-5-8-13-18/h5,7-8,10,12-13,15-17,24H,1-4,6,9,11,14H2
InChIKey CMLCLJURVZTMAX-UHFFFAOYSA-N
Mol Weight 350.46 g/mol
Molecular Formula C23H26O3
Exact Mass 350.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8okSB2aH5MX
Name 5-Hydroxy-2-(8'-phenyloctyl)-4H-benzopyran-4-one
Alternate Name(s) 5-Hydroxy-2-(8-phenyloctyl)-4H-chromen-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26O3
InChI InChI=1S/C23H26O3/c24-20-15-10-16-22-23(20)21(25)17-19(26-22)14-9-4-2-1-3-6-11-18-12-7-5-8-13-18/h5,7-8,10,12-13,15-17,24H,1-4,6,9,11,14H2
InChIKey CMLCLJURVZTMAX-UHFFFAOYSA-N
Molecular Weight 350.458 g/mol
SMILES Oc1c2C(C=C(Oc2ccc1)CCCCCCCCc1ccccc1)=O
SPLASH splash10-0f79-2904000000-d0272880c67b5ada05b3
Source of Spectrum B-46-1421-0
Wiley ID 1342283