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4-(Heptyloxy)benzaldehyde N-(4-isopropoxybenzyl)thiosemicarbazone
SpectraBase Compound ID 9S6zeCLuXjj
InChI InChI=1S/C25H35N3O2S/c1-4-5-6-7-8-17-29-23-13-9-22(10-14-23)19-27-28-25(31)26-18-21-11-15-24(16-12-21)30-20(2)3/h9-16,19-20H,4-8,17-18H2,1-3H3,(H2,26,28,31)/b27-19+
InChIKey KYQDARWHPWETHM-ZXVVBBHZSA-N
Mol Weight 441.6 g/mol
Molecular Formula C25H35N3O2S
Exact Mass 441.244999 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3zvGPwuVJiw
Name 4-(Heptyloxy)benzaldehyde N-(4-isopropoxybenzyl)thiosemicarbazone
Alternate Name(s) 1-(4-Heptyloxybenzylidene)-4-(4-isopropoxybenzyl)thiosemicarbazide 1-[(E)-(4-heptoxybenzylidene)amino]-3-(4-isopropoxybenzyl)thiourea 1-[(E)-(4-heptoxyphenyl)methyleneamino]-3-[(4-isopropoxyphenyl)methyl]thiourea 1-[(E)-(4-heptoxyphenyl)methylideneamino]-3-[(4-propan-2-yloxyphenyl)methyl]thiourea
CAS Registry Number 207290-53-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H35N3O2S
InChI InChI=1S/C25H35N3O2S/c1-4-5-6-7-8-17-29-23-13-9-22(10-14-23)19-27-28-25(31)26-18-21-11-15-24(16-12-21)30-20(2)3/h9-16,19-20H,4-8,17-18H2,1-3H3,(H2,26,28,31)/b27-19+
InChIKey KYQDARWHPWETHM-ZXVVBBHZSA-N
Molecular Weight 441.634 g/mol
SMILES N(Cc1ccc(cc1)OC(C)C)C(N\N=C\c1ccc(cc1)OCCCCCCC)=S
SPLASH splash10-05fu-8920000000-fe2d8668a673e890c38c
Wiley ID 1469524