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[(3aS,8aR)-3-Benzoyl-3,3a,8,8a-tetrahydro-2H-indeno[1,2-d][1,3]oxazol-2-ylidene]cyanamide
SpectraBase Compound ID KgH8YwkQHJ8
InChI InChI=1S/C18H13N3O2/c19-11-20-18-21(17(22)12-6-2-1-3-7-12)16-14-9-5-4-8-13(14)10-15(16)23-18/h1-9,15-16H,10H2/b20-18-/t15-,16+/m1/s1
InChIKey GSEWFCHAJLAADW-HYLQGWQCSA-N
Mol Weight 303.32 g/mol
Molecular Formula C18H13N3O2
Exact Mass 303.100777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9mqlvhJyBWf
Name [(3aS,8aR)-3-Benzoyl-3,3a,8,8a-tetrahydro-2H-indeno[1,2-d][1,3]oxazol-2-ylidene]cyanamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13N3O2
InChI InChI=1S/C18H13N3O2/c19-11-20-18-21(17(22)12-6-2-1-3-7-12)16-14-9-5-4-8-13(14)10-15(16)23-18/h1-9,15-16H,10H2/b20-18-/t15-,16+/m1/s1
InChIKey GSEWFCHAJLAADW-HYLQGWQCSA-N
Molecular Weight 303.321 g/mol
SMILES C(\N=C/1O[C@]2([C@@](N1C(c1ccccc1)=O)(c1c(C2)cccc1)[H])[H])#N
SPLASH splash10-0a4i-0900000000-b3d420cc558b33e4bebc
Source of Spectrum F-57-9313-9
Synonyms (2Z,3aS,8aR)-3-benzoyl-3,3a,8,8a-tetrahydro-2H-indeno[1,2-d][1,3]oxazol-2-ylidenecyanamide
Wiley ID 1626408