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Carbamothioic acid, (1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)-, S-(phenylmethyl) ester
SpectraBase Compound ID DgFnL5BHkaT
InChI InChI=1S/C18H25NOS/c1-17(2)14-9-10-18(17,3)15(11-14)19-16(20)21-12-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3,(H,19,20)/t14-,15+,18+/m0/s1
InChIKey XJSDMPCGVUAEBA-HDMKZQKVSA-N
Mol Weight 303.46 g/mol
Molecular Formula C18H25NOS
Exact Mass 303.165686 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1dLFcesMXLr
Name Carbamothioic acid, (1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)-, S-(phenylmethyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 303.165685602 u
Formula C18H25NOS
InChI InChI=1S/C18H25NOS/c1-17(2)14-9-10-18(17,3)15(11-14)19-16(20)21-12-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3,(H,19,20)/t14-,15+,18+/m0/s1
InChIKey XJSDMPCGVUAEBA-HDMKZQKVSA-N
SMILES C1[C@@]2(C)C(C)(C)[C@@](C1)(C[C@]2(NC(=O)SCC=1C=CC=CC1)[H])[H]