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Sanguinine
SpectraBase Compound ID 5aKoMymn8Ur
InChI InChI=1S/C16H19NO3/c1-17-7-6-16-5-4-11(18)8-13(16)20-15-12(19)3-2-10(9-17)14(15)16/h2-5,11,13,18-19H,6-9H2,1H3/t11-,13-,16-/m0/s1
InChIKey OYSGWKOGUVOGFQ-RBOXIYTFSA-N
Mol Weight 273.33 g/mol
Molecular Formula C16H19NO3
Exact Mass 273.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4CymCx9qbsI
Name Sanguinine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO3
InChI InChI=1S/C16H19NO3/c1-17-7-6-16-5-4-11(18)8-13(16)20-15-12(19)3-2-10(9-17)14(15)16/h2-5,11,13,18-19H,6-9H2,1H3/t11-,13-,16-/m0/s1
InChIKey OYSGWKOGUVOGFQ-RBOXIYTFSA-N
Literature Reference DOI 10.1002/pca.1028
Molecular Weight 273.332 g/mol
SMILES Oc1c2O[C@@]3([C@@]4(C=C[C@@](C3)(O)[H])c2c(cc1)CN(CC4)C)[H]
SPLASH splash10-00di-1590000000-85a85eadeaad5ac8ea51
Source of Spectrum PA-19-289-289_3
Synonyms (4aS,6R,8aS)-11-methyl-4a,5,9,10,11,12-hexahydro-6H-benzo[2,3]benzofuro[4,3-cd]azepine-3,6-diol
Wiley ID 1789544