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2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)thio]acetic acid ethyl ester
SpectraBase Compound ID 5BJwDUNBlA2
InChI InChI=1S/C18H20N2O2S/c1-2-22-16(21)12-23-18-14-10-6-7-11-15(14)19-17(20-18)13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12H2,1H3
InChIKey RGVMWHJJHFGYNX-UHFFFAOYSA-N
Mol Weight 328.43 g/mol
Molecular Formula C18H20N2O2S
Exact Mass 328.124549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ss6IcSmu7R
Name 2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)thio]acetic acid ethyl ester
CAS Registry Number 107466-60-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20N2O2S
InChI InChI=1S/C18H20N2O2S/c1-2-22-16(21)12-23-18-14-10-6-7-11-15(14)19-17(20-18)13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12H2,1H3
InChIKey RGVMWHJJHFGYNX-UHFFFAOYSA-N
Molecular Weight 328.430 g/mol
SMILES c1(nc(nc2CCCCc12)-c1ccccc1)SCC(=O)OCC
SPLASH splash10-0007-0291000000-4e67412f1e4ee5e0ef36
Source of Spectrum H-69-1023-15
Synonyms Ethyl 2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetate Ethyl 2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanoate
Wiley ID 1326244