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N-Benzyl-N1((8-methyl-4-propyl-2H-benzopyran-2-one-7-yloxy)acetyl)-thiosemicarbazide
SpectraBase Compound ID 6Hjq47f5pON
InChI InChI=1S/C23H25N3O4S/c1-3-7-17-12-21(28)30-22-15(2)19(11-10-18(17)22)29-14-20(27)26(25-23(24)31)13-16-8-5-4-6-9-16/h4-6,8-12H,3,7,13-14H2,1-2H3,(H3,24,25,31)
InChIKey NGISVXZOMHHRLI-UHFFFAOYSA-N
Mol Weight 439.53 g/mol
Molecular Formula C23H25N3O4S
Exact Mass 439.156577 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IDRYtwwxKpA
Name N-Benzyl-N1((8-methyl-4-propyl-2H-benzopyran-2-one-7-yloxy)acetyl)-thiosemicarbazide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25N3O4S
InChI InChI=1S/C23H25N3O4S/c1-3-7-17-12-21(28)30-22-15(2)19(11-10-18(17)22)29-14-20(27)26(25-23(24)31)13-16-8-5-4-6-9-16/h4-6,8-12H,3,7,13-14H2,1-2H3,(H3,24,25,31)
InChIKey NGISVXZOMHHRLI-UHFFFAOYSA-N
Molecular Weight 439.530 g/mol
SMILES N(C(=S)N)N(C(COc1c(c2c(C(CCC)=CC(O2)=O)cc1)C)=O)Cc1ccccc1
SPLASH splash10-000i-0000900000-5aa6faa2e3e2bfa45130
Source of Spectrum F2-45-3956-5c
Wiley ID 1689394