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TRANS-9-DEHYDROXY-CANTLEYINE-COUMARATE
SpectraBase Compound ID AlUWzHmq8mi
InChI InChI=1S/C20H19NO6/c1-26-20(25)16-10-21-9-15-14(16)8-18(23)17(15)11-27-19(24)7-4-12-2-5-13(22)6-3-12/h2-7,9-10,17-18,22-23H,8,11H2,1H3/b7-4+/t17-,18+/m1/s1
InChIKey BWZLTDPOFISYQS-JLLHVBAKSA-N
Mol Weight 369.37 g/mol
Molecular Formula C20H19NO6
Exact Mass 369.121237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BHX7J32GH7t
Name (trans)-9-Hydroxy-Cantleyine - Coumarate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19NO6
InChI InChI=1S/C20H19NO6/c1-26-20(25)16-10-21-9-15-14(16)8-18(23)17(15)11-27-19(24)7-4-12-2-5-13(22)6-3-12/h2-7,9-10,17-18,22-23H,8,11H2,1H3/b7-4+/t17-,18+/m1/s1
InChIKey BWZLTDPOFISYQS-JLLHVBAKSA-N
Molecular Weight 369.373 g/mol
SMILES Oc1ccc(\C=C\C(OC[C@@]2(c3cncc(c3C[C@@]2(O)[H])C(=O)OC)[H])=O)cc1
SPLASH splash10-07vi-0901000000-e0186a1b214124f0f165
Source of Spectrum X2-51-834-4
Wiley ID 1602777