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tert-Butyl 4-[(Benzylamino)methy]-3-tosyl-4-pentenoate
SpectraBase Compound ID JvjlgUWJLjX
InChI InChI=1S/C24H31NO4S/c1-18-11-13-21(14-12-18)30(27,28)22(15-23(26)29-24(3,4)5)19(2)16-25-17-20-9-7-6-8-10-20/h6-14,22,25H,2,15-17H2,1,3-5H3
InChIKey CAANDYLPRCPVAJ-UHFFFAOYSA-N
Mol Weight 429.58 g/mol
Molecular Formula C24H31NO4S
Exact Mass 429.19738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8JPLnvw9cEO
Name tert-Butyl 4-[(Benzylamino)methy]-3-tosyl-4-pentenoate
Alternate Name(s) tert-Butyl 4-[(benzylamino)methyl]-3-[(4-methylphenyl)sulfonyl]-4-pentenoate
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Formula C24H31NO4S
InChI InChI=1S/C24H31NO4S/c1-18-11-13-21(14-12-18)30(27,28)22(15-23(26)29-24(3,4)5)19(2)16-25-17-20-9-7-6-8-10-20/h6-14,22,25H,2,15-17H2,1,3-5H3
InChIKey CAANDYLPRCPVAJ-UHFFFAOYSA-N
Molecular Weight 429.575 g/mol
SMILES N(CC(C(S(c1ccc(cc1)C)(=O)=O)CC(OC(C)(C)C)=O)=C)Cc1ccccc1
SPLASH splash10-0006-9200000000-33b96c66bc5a3f59c345
Source of Spectrum J-61-5009-11
Wiley ID 1381191