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7R-PT-PM-I (7R-8-phenylthiopaeonimetabolin-I)
SpectraBase Compound ID 97z0CAENUmP
InChI InChI=1S/C16H18O4S/c1-15-8-13(17)11-7-16(15,18)20-14(19-15)12(11)9-21-10-5-3-2-4-6-10/h2-6,11-12,14,18H,7-9H2,1H3/t11-,12-,14+,15+,16-/m1/s1
InChIKey VJWPQUJEPPFPME-DMVVEVTLSA-N
Mol Weight 306.38 g/mol
Molecular Formula C16H18O4S
Exact Mass 306.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DchTN9bUN5g
Name 7R-PT-PM-I (7R-8-phenylthiopaeonimetabolin-I)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O4S
InChI InChI=1S/C16H18O4S/c1-15-8-13(17)11-7-16(15,18)20-14(19-15)12(11)9-21-10-5-3-2-4-6-10/h2-6,11-12,14,18H,7-9H2,1H3/t11-,12-,14+,15+,16-/m1/s1
InChIKey VJWPQUJEPPFPME-DMVVEVTLSA-N
Molecular Weight 306.376 g/mol
SMILES O[C@]12[C@]3(O[C@@](O2)([C@@](CSc2ccccc2)([H])[C@@](C1)(C(=O)C3)[H])[H])C
SPLASH splash10-0cdi-4903000000-1ba2ac23521b6e4b1d3a
Source of Spectrum E2-50-1234-3
Wiley ID 1555902