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Cinnamomumolide
SpectraBase Compound ID C6cRxbRH5Rb
InChI InChI=1S/C18H16O6/c1-21-15-7-11(2-4-13(15)19)17-12(8-22-18(17)20)10-3-5-14-16(6-10)24-9-23-14/h2-7,12,17,19H,8-9H2,1H3/t12-,17-/m1/s1
InChIKey LAKOQKCHHPPKDP-SJKOYZFVSA-N
Mol Weight 328.32 g/mol
Molecular Formula C18H16O6
Exact Mass 328.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID COviNR8HHFf
Name Cinnamomumolide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16O6
InChI InChI=1S/C18H16O6/c1-21-15-7-11(2-4-13(15)19)17-12(8-22-18(17)20)10-3-5-14-16(6-10)24-9-23-14/h2-7,12,17,19H,8-9H2,1H3/t12-,17-/m1/s1
InChIKey LAKOQKCHHPPKDP-SJKOYZFVSA-N
Ionization Type EI
Molecular Weight 328.320 g/mol
Optical Rotation [a]D25 = +161.5 (c = 0.40, CH2Cl2)
Reported Formula C18H16O6
SMILES Oc1ccc([C@@]2([C@](COC2=O)(c2cc3c(cc2)OCO3)[H])[H])cc1OC
SPLASH splash10-0002-0900000000-9f7a2afb4329186cd205
Sample Comments 97% ee
Source of Spectrum CN101974026B
Wiley ID 1849473