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(R)-((S)-3-methyl-1-phenyl-1H-isochromen-5-yl)(phenyl)methanol
SpectraBase Compound ID B3rFSBEHHaU
InChI InChI=1S/C23H20O2/c1-16-15-21-19(22(24)17-9-4-2-5-10-17)13-8-14-20(21)23(25-16)18-11-6-3-7-12-18/h2-15,22-24H,1H3/t22-,23+/m1/s1
InChIKey HGHVZFZADLQWQG-PKTZIBPZSA-N
Mol Weight 328.41 g/mol
Molecular Formula C23H20O2
Exact Mass 328.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IMzMweOoITQ
Name (R)-((S)-3-methyl-1-phenyl-1H-isochromen-5-yl)(phenyl)methanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20O2
InChI InChI=1S/C23H20O2/c1-16-15-21-19(22(24)17-9-4-2-5-10-17)13-8-14-20(21)23(25-16)18-11-6-3-7-12-18/h2-15,22-24H,1H3/t22-,23+/m1/s1
InChIKey HGHVZFZADLQWQG-PKTZIBPZSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201405889
Molecular Weight 328.411 g/mol
Optical Rotation [a]D20 = +11.4 (c = 0.45, CHCl3)
Reported Formula C23H20O2
SMILES O[C@@](C=1C2=C([C@@](OC(C)=C2)(C2=CC=CC=C2)[H])C=CC1)(C1=CC=CC=C1)[H]
SPLASH splash10-004i-0039000000-d97e5d9c3cf5ec4be9fc
Sample Comments 84% ee
Source of Spectrum QE-21-SM10-3ac (DOI: 10.1002/chem.201405889)
Wiley ID 1909044