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[(3aS,8aR)-3-(4-Methoxybenzoyl)-3,3a,8,8a-tetrahydro-2H-indeno[1,2-d][1,3]oxazol-2-ylidene]cyanamide
SpectraBase Compound ID 29QIFgEZYK1
InChI InChI=1S/C19H15N3O3/c1-24-14-8-6-12(7-9-14)18(23)22-17-15-5-3-2-4-13(15)10-16(17)25-19(22)21-11-20/h2-9,16-17H,10H2,1H3/b21-19-/t16-,17+/m1/s1
InChIKey IKUINJZRRWYGJL-WFJJUKAGSA-N
Mol Weight 333.35 g/mol
Molecular Formula C19H15N3O3
Exact Mass 333.111341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CHMDe9Smv7d
Name [(3aS,8aR)-3-(4-Methoxybenzoyl)-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 © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15N3O3
InChI InChI=1S/C19H15N3O3/c1-24-14-8-6-12(7-9-14)18(23)22-17-15-5-3-2-4-13(15)10-16(17)25-19(22)21-11-20/h2-9,16-17H,10H2,1H3/b21-19-/t16-,17+/m1/s1
InChIKey IKUINJZRRWYGJL-WFJJUKAGSA-N
Molecular Weight 333.347 g/mol
SMILES C(\N=C/1O[C@]2([C@@](N1C(c1ccc(cc1)OC)=O)(c1c(C2)cccc1)[H])[H])#N
SPLASH splash10-000i-0900000000-e027fe31a0ec5162ca4d
Source of Spectrum F-57-9313-9
Synonyms (2Z,3aS,8aR)-3-(4-methoxybenzoyl)-3,3a,8,8a-tetrahydro-2H-indeno[1,2-d][1,3]oxazol-2-ylidenecyanamide
Wiley ID 1626407