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2-[(E)-3-(4-morpholinyl)-1,3-diphenylprop-2-enyl]-3-phenylpentanedioic acid ditert-butyl ester
SpectraBase Compound ID 9MPkWfSPw5d
InChI InChI=1S/C38H47NO5/c1-37(2,3)43-34(40)27-32(29-18-12-8-13-19-29)35(36(41)44-38(4,5)6)31(28-16-10-7-11-17-28)26-33(30-20-14-9-15-21-30)39-22-24-42-25-23-39/h7-21,26,31-32,35H,22-25,27H2,1-6H3/b33-26+
InChIKey USKDQBBSRVQMCC-MHTZHOPKSA-N
Mol Weight 597.8 g/mol
Molecular Formula C38H47NO5
Exact Mass 597.345424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3vG3zM8cUHT
Name 2-[(E)-3-(4-morpholinyl)-1,3-diphenylprop-2-enyl]-3-phenylpentanedioic acid ditert-butyl ester
Alternate Name(s) 2-[(E)-3-morpholino-1,3-diphenyl-allyl]-3-phenyl-glutaric acid ditert-butyl ester ditert-butyl 2-[(E)-3-morpholin-4-yl-1,3-diphenyl-prop-2-enyl]-3-phenyl-pentanedioate ditert-butyl 2-[(E)-3-morpholino-1,3-diphenyl-allyl]-3-phenyl-pentanedioate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H47NO5
InChI InChI=1S/C38H47NO5/c1-37(2,3)43-34(40)27-32(29-18-12-8-13-19-29)35(36(41)44-38(4,5)6)31(28-16-10-7-11-17-28)26-33(30-20-14-9-15-21-30)39-22-24-42-25-23-39/h7-21,26,31-32,35H,22-25,27H2,1-6H3/b33-26+
InChIKey USKDQBBSRVQMCC-MHTZHOPKSA-N
Molecular Weight 597.796 g/mol
SMILES C(C(C(\C=C/(N1CCOCC1)c1ccccc1)c1ccccc1)C(CC(OC(C)(C)C)=O)c1ccccc1)(OC(C)(C)C)=O
SPLASH splash10-004i-0090000000-bbc72ec208930adc16fd
Source of Spectrum SO-0-653-5
Wiley ID 1542356