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5-(Propylthio)tricyclo[4.1.0.0(2,7)]heptan-3-one
SpectraBase Compound ID Fzh8SWHzoeB
InChI InChI=1S/C10H14OS/c1-2-3-12-6-4-5(11)7-9-8(6)10(7)9/h6-10H,2-4H2,1H3/t6?,7-,8+,9-,10+
InChIKey QYGMWFAESNGZER-UVGFAGKYSA-N
Mol Weight 182.28 g/mol
Molecular Formula C10H14OS
Exact Mass 182.076536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GYgr948J0y9
Name 5-(Propylthio)tricyclo[4.1.0.0(2,7)]heptan-3-one
Comments Less than 3 mono-isotopic peaks
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Formula C10H14OS
InChI InChI=1S/C10H14OS/c1-2-3-12-6-4-5(11)7-9-8(6)10(7)9/h6-10H,2-4H2,1H3/t6?,7-,8+,9-,10+
InChIKey QYGMWFAESNGZER-UVGFAGKYSA-N
Molecular Weight 182.281 g/mol
SMILES [C@]12([C@@]3([C@]2(C(CC([C@]13[H])=O)SCCC)[H])[H])[H]
SPLASH splash10-001i-0900000000-ab826a91f201894f1a46
Source of Spectrum SK-25-2025-18
Synonyms 5-(propylsulfanyl)tricyclo[4.1.0.0(2,7)]heptan-3-one
Wiley ID 866793