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4-trans-crotylthiopyrimidin-2(1h)-one
SpectraBase Compound ID 3kQYrenXkXP
InChI InChI=1S/C8H10N2OS/c1-2-3-6-12-7-4-5-9-8(11)10-7/h2-5H,6H2,1H3,(H,9,10,11)/b3-2+
InChIKey MQKNNPYZMVXHNU-NSCUHMNNSA-N
Mol Weight 182.24 g/mol
Molecular Formula C8H10N2OS
Exact Mass 182.051384 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4J2Q7bDpdci
Name 4-trans-crotylthiopyrimidin-2(1h)-one
Alternate Name(s) 4-[(2E)-2-butenylsulfanyl]-2(1H)-pyrimidinone
CAS Registry Number 105173-91-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H10N2OS
InChI InChI=1S/C8H10N2OS/c1-2-3-6-12-7-4-5-9-8(11)10-7/h2-5H,6H2,1H3,(H,9,10,11)/b3-2+
InChIKey MQKNNPYZMVXHNU-NSCUHMNNSA-N
Molecular Weight 182.241 g/mol
SMILES N1C=CC(=NC1=O)SC\C=C\C
SPLASH splash10-066s-3900000000-61f0ec2285f975f1658b
Source of Spectrum F-41-5291-4
Wiley ID 1178040