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[(3aS,8aR)-3-(Propionyl)-3,3a,8,8a-tetrahydro-2H-indeno[1,2-d][1,3]oxazol-2-ylidene]cyanamide
SpectraBase Compound ID QXMfzHB55p
InChI InChI=1S/C14H13N3O2/c1-2-12(18)17-13-10-6-4-3-5-9(10)7-11(13)19-14(17)16-8-15/h3-6,11,13H,2,7H2,1H3/b16-14-/t11-,13+/m1/s1
InChIKey KCWSDTWUTHYKHV-RXASSTCNSA-N
Mol Weight 255.28 g/mol
Molecular Formula C14H13N3O2
Exact Mass 255.100777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EjFDjJnF6UQ
Name [(3aS,8aR)-3-(Propionyl)-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 C14H13N3O2
InChI InChI=1S/C14H13N3O2/c1-2-12(18)17-13-10-6-4-3-5-9(10)7-11(13)19-14(17)16-8-15/h3-6,11,13H,2,7H2,1H3/b16-14-/t11-,13+/m1/s1
InChIKey KCWSDTWUTHYKHV-RXASSTCNSA-N
Molecular Weight 255.277 g/mol
SMILES C(\N=C/1O[C@]2([C@@](N1C(=O)CC)(c1c(C2)cccc1)[H])[H])#N
SPLASH splash10-014i-0930000000-16efda148dc94acdb559
Source of Spectrum F-57-9314-9
Synonyms (2Z,3aS,8aR)-3-propionyl-3,3a,8,8a-tetrahydro-2H-indeno[1,2-d][1,3]oxazol-2-ylidenecyanamide
Wiley ID 1626403