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(S1,S2,R3,R4,Ss)-2-tert-Butoxycarbonyl-3-methoxycarbonyl-2-p-tolylsulfinylbicyclo[2.2.1]hept-5-ene
SpectraBase Compound ID Lsm0zvNPkK0
InChI InChI=1S/C21H26O5S/c1-13-6-10-16(11-7-13)27(24)21(19(23)26-20(2,3)4)15-9-8-14(12-15)17(21)18(22)25-5/h6-11,14-15,17H,12H2,1-5H3/t14-,15+,17+,21-,27?/m0/s1
InChIKey YKWNJCRRUCOIGG-VRPIWSSISA-N
Mol Weight 390.49 g/mol
Molecular Formula C21H26O5S
Exact Mass 390.150095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A7gbrN3QICM
Name (S1,S2,R3,R4,Ss)-2-tert-Butoxycarbonyl-3-methoxycarbonyl-2-p-tolylsulfinylbicyclo[2.2.1]hept-5-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O5S
InChI InChI=1S/C21H26O5S/c1-13-6-10-16(11-7-13)27(24)21(19(23)26-20(2,3)4)15-9-8-14(12-15)17(21)18(22)25-5/h6-11,14-15,17H,12H2,1-5H3/t14-,15+,17+,21-,27?/m0/s1
InChIKey YKWNJCRRUCOIGG-VRPIWSSISA-N
Molecular Weight 390.494 g/mol
SMILES [C@]1([C@]([C@@]2(C[C@]1(C=C2)[H])[H])(C(=O)OC)[H])(C(OC(C)(C)C)=O)S(c1ccc(cc1)C)=O
SPLASH splash10-0002-2900000000-b4b920e863e47b93aaae
Source of Spectrum QC-2-1204-5
Synonyms (S1,S2,R3,R4)-2-tert-Butoxycarbonyl-3-methoxycarbonyl-2-p-tolylsulfinylbicyclo[2.2.1]hept-5-ene
Wiley ID 883043