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6-Amino-8-ethyl-4-thia-2-aza-tricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxylic acid benzyl ester
SpectraBase Compound ID 7PW7QEBxqsz
InChI InChI=1S/C23H26N2O2S/c1-2-16-17-12-8-3-4-9-13-18(17)25-22-19(16)20(24)21(28-22)23(26)27-14-15-10-6-5-7-11-15/h5-7,10-11H,2-4,8-9,12-14,24H2,1H3
InChIKey OHAJEJDREDCVEB-UHFFFAOYSA-N
Mol Weight 394.53 g/mol
Molecular Formula C23H26N2O2S
Exact Mass 394.171499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1XdHoeXosgc
Name 6-Amino-8-ethyl-4-thia-2-aza-tricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxylic acid benzyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26N2O2S
InChI InChI=1S/C23H26N2O2S/c1-2-16-17-12-8-3-4-9-13-18(17)25-22-19(16)20(24)21(28-22)23(26)27-14-15-10-6-5-7-11-15/h5-7,10-11H,2-4,8-9,12-14,24H2,1H3
InChIKey OHAJEJDREDCVEB-UHFFFAOYSA-N
Molecular Weight 394.533 g/mol
SMILES Nc1c2c(c3CCCCCCc3nc2sc1C(OCc1ccccc1)=O)CC
SPLASH splash10-0006-8597000000-9c46889faf8514dcbd3c
Synonyms Benzyl 3-amino-4-ethyl-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-E]pyridine-2-carboxylate
Wiley ID 1460724