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{1-[Chloro(p-tolylsulfinyl)methyl]-3,3-bis(3-phenylpropoxymethyl)cyclobutyl}-N,N-dimethylacetamide
SpectraBase Compound ID fx1CdOAFV1
InChI InChI=1S/C36H46ClNO4S/c1-29-18-20-32(21-19-29)43(40)34(37)36(24-33(39)38(2)3)25-35(26-36,27-41-22-10-16-30-12-6-4-7-13-30)28-42-23-11-17-31-14-8-5-9-15-31/h4-9,12-15,18-21,34H,10-11,16-17,22-28H2,1-3H3
InChIKey IAKYUKOGSKJLJB-UHFFFAOYSA-N
Mol Weight 624.3 g/mol
Molecular Formula C36H46ClNO4S
Exact Mass 623.283608 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Djzeh8Tj9Lh
Name {1-[Chloro(p-tolylsulfinyl)methyl]-3,3-bis(3-phenylpropoxymethyl)cyclobutyl}-N,N-dimethylacetamide
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Formula C36H46ClNO4S
InChI InChI=1S/C36H46ClNO4S/c1-29-18-20-32(21-19-29)43(40)34(37)36(24-33(39)38(2)3)25-35(26-36,27-41-22-10-16-30-12-6-4-7-13-30)28-42-23-11-17-31-14-8-5-9-15-31/h4-9,12-15,18-21,34H,10-11,16-17,22-28H2,1-3H3
InChIKey IAKYUKOGSKJLJB-UHFFFAOYSA-N
Molecular Weight 624.280 g/mol
SMILES C1(C(S(c2ccc(cc2)C)=O)Cl)(CC(N(C)C)=O)CC(C1)(COCCCc1ccccc1)COCCCc1ccccc1
SPLASH splash10-006x-9300102000-1010a915ebd185c6ec46
Source of Spectrum F-67-1111-41b
Wiley ID 1713129