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Artavenustine
SpectraBase Compound ID JDMFuG06HYE
InChI InChI=1S/C18H19NO4/c1-23-18-8-13-10(5-17(18)22)2-3-19-9-12-7-16(21)15(20)6-11(12)4-14(13)19/h5-8,14,20-22H,2-4,9H2,1H3/t14-/m0/s1
InChIKey JBRMCLMXSZKCKB-AWEZNQCLSA-N
Mol Weight 313.35 g/mol
Molecular Formula C18H19NO4
Exact Mass 313.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D0PQbclpAb0
Name Artavenustine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19NO4
InChI InChI=1S/C18H19NO4/c1-23-18-8-13-10(5-17(18)22)2-3-19-9-12-7-16(21)15(20)6-11(12)4-14(13)19/h5-8,14,20-22H,2-4,9H2,1H3/t14-/m0/s1
InChIKey JBRMCLMXSZKCKB-AWEZNQCLSA-N
Molecular Weight 313.353 g/mol
SMILES Oc1cc2CCN3[C@@](Cc4c(cc(c(c4)O)O)C3)(c2cc1OC)[H]
SPLASH splash10-01t9-0905000000-deb583bddc6067e5c477
Source of Spectrum X2-49-606-12
Synonyms (13aS)-2-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-3,10,11-triol
Wiley ID 1601929