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2(1H)-Naphthalenone, 3,4-dihydro-6-methoxy-3-(2-nitro-1-phenylethyl)-, [S-(R*,S*)]-
SpectraBase Compound ID 7OsaldvPMQ4
InChI InChI=1S/C19H19NO4/c1-24-16-8-7-14-11-19(21)17(10-15(14)9-16)18(12-20(22)23)13-5-3-2-4-6-13/h2-9,17-18H,10-12H2,1H3/t17-,18-/m0/s1
InChIKey NVRXGUANTDINJC-ROUUACIJSA-N
Mol Weight 325.36 g/mol
Molecular Formula C19H19NO4
Exact Mass 325.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H74VooKX8j8
Name 2(1H)-Naphthalenone, 3,4-dihydro-6-methoxy-3-(2-nitro-1-phenylethyl)-, [S-(R*,S*)]-
CAS Registry Number 87732-61-4
Comments Less than 3 mono-isotopic peaks
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Formula C19H19NO4
InChI InChI=1S/C19H19NO4/c1-24-16-8-7-14-11-19(21)17(10-15(14)9-16)18(12-20(22)23)13-5-3-2-4-6-13/h2-9,17-18H,10-12H2,1H3/t17-,18-/m0/s1
InChIKey NVRXGUANTDINJC-ROUUACIJSA-N
Molecular Weight 325.364 g/mol
SMILES [C@]1(C(Cc2c(C1)cc(cc2)OC)=O)([C@@](CN(=O)=O)(c1ccccc1)[H])[H]
SPLASH splash10-004i-0901000000-1454f55ed69083b9d86b
Source of Spectrum K-116-3095-0
Synonyms (-)-(3S,1'R)-3,4-dihydro-6-methoxy-3-(2-nitro-1-phenylethyl)-2(1H)-naphthalenone (3S)-6-methoxy-3-[(1R)-2-nitro-1-phenylethyl]-3,4-dihydro-2(1H)-naphthalenone
Wiley ID 1324044