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(Z)-7-[(2R,4R)-3-tert-butoxycarbonyl-2-phenyl-thiazolidin-4-yl]hept-6-enoic acid
SpectraBase Compound ID 3CtpG3RDdTc
InChI InChI=1S/C21H29NO4S/c1-21(2,3)26-20(25)22-17(13-9-4-5-10-14-18(23)24)15-27-19(22)16-11-7-6-8-12-16/h6-9,11-13,17,19H,4-5,10,14-15H2,1-3H3,(H,23,24)/b13-9-/t17-,19-/m1/s1
InChIKey LVRNODHEKZCLEG-NODARJAWSA-N
Mol Weight 391.53 g/mol
Molecular Formula C21H29NO4S
Exact Mass 391.18173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J7fEBEN0Rxv
Name (Z)-7-[(2R,4R)-3-tert-butoxycarbonyl-2-phenyl-thiazolidin-4-yl]hept-6-enoic acid
Alternate Name(s) (Z)-7-[(2R,4R)-3-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-phenyl-4-thiazolidinyl]-6-heptenoic acid (Z)-7-[(2R,4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-1,3-thiazolidin-4-yl]hept-6-enoic acid
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Formula C21H29NO4S
InChI InChI=1S/C21H29NO4S/c1-21(2,3)26-20(25)22-17(13-9-4-5-10-14-18(23)24)15-27-19(22)16-11-7-6-8-12-16/h6-9,11-13,17,19H,4-5,10,14-15H2,1-3H3,(H,23,24)/b13-9-/t17-,19-/m1/s1
InChIKey LVRNODHEKZCLEG-NODARJAWSA-N
Molecular Weight 391.526 g/mol
SMILES OC(CCCC\C=C/[C@]1(N(C(OC(C)(C)C)=O)[C@](SC1)(c1ccccc1)[H])[H])=O
SPLASH splash10-0a4i-9200000000-80eb7799a77ca6ebfd6d
Source of Spectrum J-60-327-9
Wiley ID 1365344