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trans-2-Thioxo-2,3,4a,5,8,8a-hexahydrobenzopyrimidin-4(1H)-one
SpectraBase Compound ID CdlMQdsKdUn
InChI InChI=1S/C8H10N2OS/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-2,5-6H,3-4H2,(H2,9,10,11,12)/t5-,6-/m1/s1
InChIKey HBBKRLKNZKFZPW-PHDIDXHHSA-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 IKfY8pdY61V
Name trans-2-Thioxo-2,3,4a,5,8,8a-hexahydrobenzopyrimidin-4(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H10N2OS
InChI InChI=1S/C8H10N2OS/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-2,5-6H,3-4H2,(H2,9,10,11,12)/t5-,6-/m1/s1
InChIKey HBBKRLKNZKFZPW-PHDIDXHHSA-N
Molecular Weight 182.241 g/mol
SMILES N1C(N[C@@]2(CC=CC[C@]2(C1=O)[H])[H])=S
SPLASH splash10-003r-8900000000-9a7df7b4bff8e0cfd820
Source of Spectrum O-26-494-4
Synonyms (4aR,8aR)-2-thioxo-2,3,4a,5,8,8a-hexahydro-4(1H)-quinazolinone
Wiley ID 1178048