For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
endo-[4aR,5S,8R,8aS,(S)S]-5,8-Methano-2(2'-methoxynaphthylsulfinyl)-4a,5,8,8a-tetrahydro-1,4-naphthoquinone
SpectraBase Compound ID 1cNhq3djaxP
InChI InChI=1S/C22H18O4S/c1-26-17-9-8-12-4-2-3-5-15(12)22(17)27(25)18-11-16(23)19-13-6-7-14(10-13)20(19)21(18)24/h2-9,11,13-14,19-20H,10H2,1H3/t13-,14+,19+,20+,27?/m1/s1
InChIKey LLNHWEHBHCGIKT-IZXFDAKKSA-N
Mol Weight 378.44 g/mol
Molecular Formula C22H18O4S
Exact Mass 378.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JHQyjbFaQ5h
Name endo-[4aR,5S,8R,8aS,(S)S]-5,8-Methano-2(2'-methoxynaphthylsulfinyl)-4a,5,8,8a-tetrahydro-1,4-naphthoquinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18O4S
InChI InChI=1S/C22H18O4S/c1-26-17-9-8-12-4-2-3-5-15(12)22(17)27(25)18-11-16(23)19-13-6-7-14(10-13)20(19)21(18)24/h2-9,11,13-14,19-20H,10H2,1H3/t13-,14+,19+,20+,27?/m1/s1
InChIKey LLNHWEHBHCGIKT-IZXFDAKKSA-N
Molecular Weight 378.442 g/mol
SMILES C=1([S@](c2c3c(cccc3)ccc2OC)=O)C([C@]2([C@]3(C=C[C@@]([C@]2(C(C1)=O)[H])(C3)[H])[H])[H])=O
SPLASH splash10-0a4i-0900000000-58c8e92c5781525f10c7
Source of Spectrum J-65-458-7
Synonyms (1R,2S,7R,8S)-4-[(2-methoxy-1-naphthyl)sulfinyl]tricyclo[6.2.1.0(2,7)]undeca-4,9-diene-3,6-dione
Wiley ID 1532039