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(4RS)-4-{[(1R,4S)-2-N-Phenylamino-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-3-yl](thiocarbonyl)thio}-4,5-dihydro-2(3H)-furanone

View entire compound with spectra: 1 MS (GC)

(4RS)-4-{[(1R,4S)-2-N-Phenylamino-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-3-yl](thiocarbonyl)thio}-4,5-dihydro-2(3H)-furanone
SpectraBase Compound ID 8IueVIT92HR
InChI InChI=1S/C21H25NO2S2/c1-20(2)15-9-10-21(20,3)18(22-13-7-5-4-6-8-13)17(15)19(25)26-14-11-16(23)24-12-14/h4-8,14-15,22H,9-12H2,1-3H3/t14?,15-,21+/m1/s1
InChIKey WXRXCAANWJBORJ-VGBMAPTKSA-N
Mol Weight 387.56 g/mol
Molecular Formula C21H25NO2S2
Exact Mass 387.132671 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4RFZ73NJvkX
Name (4RS)-4-{[(1R,4S)-2-N-Phenylamino-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-3-yl](thiocarbonyl)thio}-4,5-dihydro-2(3H)-furanone
Alternate Name(s) 5-Oxotetrahydro-3-furanyl 3-anilino-4,7,7-trimethylbicyclo[2.2.1]hept-2-ene-2-carbodithioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO2S2
InChI InChI=1S/C21H25NO2S2/c1-20(2)15-9-10-21(20,3)18(22-13-7-5-4-6-8-13)17(15)19(25)26-14-11-16(23)24-12-14/h4-8,14-15,22H,9-12H2,1-3H3/t14?,15-,21+/m1/s1
InChIKey WXRXCAANWJBORJ-VGBMAPTKSA-N
Molecular Weight 387.556 g/mol
SMILES N(C1=C([C@@]2(C(C)(C)[C@@]1(C)CC2)[H])C(SC1CC(=O)OC1)=S)c1ccccc1
SPLASH splash10-0fml-9287000000-916787672213f17fd342
Source of Spectrum K1-2004-1497-24
Wiley ID 1560585