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2(1H)-Naphthalenone, 3,4-dihydro-8-methoxy-3-(2-nitro-1-phenylethyl)-, [S-(R*,S*)]-
SpectraBase Compound ID 5QbuKCZCSZu
InChI InChI=1S/C19H19NO4/c1-24-19-9-5-8-14-10-16(18(21)11-15(14)19)17(12-20(22)23)13-6-3-2-4-7-13/h2-9,16-17H,10-12H2,1H3/t16-,17-/m0/s1
InChIKey YQRQWQURKIMISE-IRXDYDNUSA-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 JVmdA8P3mpg
Name 2(1H)-Naphthalenone, 3,4-dihydro-8-methoxy-3-(2-nitro-1-phenylethyl)-, [S-(R*,S*)]-
Alternate Name(s) (-)-(3S,1'R)-3,4-dihydro-8-methoxy-3-(2-nitro-1-phenylethyl)-2(1H)-naphthalenone (3S)-8-methoxy-3-[(1R)-2-nitro-1-phenylethyl]-3,4-dihydro-2(1H)-naphthalenone
CAS Registry Number 87732-62-5
Comments Less than 3 mono-isotopic peaks
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Formula C19H19NO4
InChI InChI=1S/C19H19NO4/c1-24-19-9-5-8-14-10-16(18(21)11-15(14)19)17(12-20(22)23)13-6-3-2-4-7-13/h2-9,16-17H,10-12H2,1H3/t16-,17-/m0/s1
InChIKey YQRQWQURKIMISE-IRXDYDNUSA-N
Molecular Weight 325.364 g/mol
SMILES [C@]1(C(Cc2c(C1)cccc2OC)=O)([C@@](CN(=O)=O)(c1ccccc1)[H])[H]
SPLASH splash10-004i-0900000000-69c018210859893002c4
Source of Spectrum K-116-3095-0
Wiley ID 1324045