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1,4-Methanonaphthalen-2-ol, 9-[(2,4-dinitrophenyl)thio]-1,2,3,4-tetrahydro-, acetate (ester), (1.alpha.,2.alpha.,4.alpha.,9R*)-

View entire compound with spectra: 1 MS (GC)

1,4-Methanonaphthalen-2-ol, 9-[(2,4-dinitrophenyl)thio]-1,2,3,4-tetrahydro-, acetate (ester), (1.alpha.,2.alpha.,4.alpha.,9R*)-
SpectraBase Compound ID 4X502pPe0xP
InChI InChI=1S/C19H16N2O6S/c1-10(22)27-16-9-14-12-4-2-3-5-13(12)18(16)19(14)28-17-7-6-11(20(23)24)8-15(17)21(25)26/h2-8,14,16,18-19H,9H2,1H3/t14-,16+,18-,19-/m1/s1
InChIKey MMZUIACNKCMROB-IWKCEXAMSA-N
Mol Weight 400.41 g/mol
Molecular Formula C19H16N2O6S
Exact Mass 400.072907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BNvXlQ8lyji
Name 1,4-Methanonaphthalen-2-ol, 9-[(2,4-dinitrophenyl)thio]-1,2,3,4-tetrahydro-, acetate (ester), (1.alpha.,2.alpha.,4.alpha.,9R*)-
CAS Registry Number 79671-62-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16N2O6S
InChI InChI=1S/C19H16N2O6S/c1-10(22)27-16-9-14-12-4-2-3-5-13(12)18(16)19(14)28-17-7-6-11(20(23)24)8-15(17)21(25)26/h2-8,14,16,18-19H,9H2,1H3/t14-,16+,18-,19-/m1/s1
InChIKey MMZUIACNKCMROB-IWKCEXAMSA-N
Molecular Weight 400.405 g/mol
SMILES c1(N(=O)=O)cc(N(=O)=O)ccc1S[C@]1([C@@]2(c3ccccc3[C@]1(C[C@@]2(OC(=O)C)[H])[H])[H])[H]
SPLASH splash10-0006-9000000000-5074af78573fe2172e4d
Source of Spectrum K-117-1148-0
Synonyms (1S,8S,9R,11R)-11-[(2,4-dinitrophenyl)sulfanyl]tricyclo[6.2.1.0(2,7)]undeca-2,4,6-trien-9-yl acetate 2-exo-acetoxy-7-anti-(2,4-dinitrophenylthio)benzonorbornene
Wiley ID 1369263