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4',5-Diacetyl-crotalarin
SpectraBase Compound ID HKtIFg6PyKQ
InChI InChI=1S/C24H22O7/c1-13(25)29-16-7-5-15(6-8-16)18-12-28-23-17-9-10-24(3,4)31-19(17)11-20(30-14(2)26)21(23)22(18)27/h5-8,11-12H,9-10H2,1-4H3
InChIKey BTSLBQFXXJHJIE-UHFFFAOYSA-N
Mol Weight 422.43 g/mol
Molecular Formula C24H22O7
Exact Mass 422.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JnHxkTg164M
Name 4',5-Diacetyl-crotalarin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22O7
InChI InChI=1S/C24H22O7/c1-13(25)29-16-7-5-15(6-8-16)18-12-28-23-17-9-10-24(3,4)31-19(17)11-20(30-14(2)26)21(23)22(18)27/h5-8,11-12H,9-10H2,1-4H3
InChIKey BTSLBQFXXJHJIE-UHFFFAOYSA-N
Molecular Weight 422.433 g/mol
SMILES c12C(C(c3ccc(OC(=O)C)cc3)=COc1c1CCC(Oc1cc2OC(=O)C)(C)C)=O
SPLASH splash10-001i-0097400000-650fd89a7aa953983f5a
Source of Spectrum X2-50-269-4
Wiley ID 1602201