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Esculin
SpectraBase Compound ID EKTWnIJjNr3
InChI InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1
InChIKey XHCADAYNFIFUHF-TVKJYDDYSA-N
Mol Weight 340.28 g/mol
Molecular Formula C15H16O9
Exact Mass 340.079432 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IxS4vvCgNFU
Name AESCULINE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C15H16O9
InChI InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1
InChIKey XHCADAYNFIFUHF-TVKJYDDYSA-N
Instrument Name DI
Molecular Weight 340.284 g/mol
SMILES [C@@]1(O[C@](CO)([C@@](O)([C@](O)([C@]1(O)[H])[H])[H])[H])(Oc1cc2C=CC(=O)Oc2cc1O)[H]
SPLASH splash10-004i-8900000000-db4ba535ddb4ba450c55
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany