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3H-[1]Benzopyrano[4,3-c]isoxazole-1(4H)-propanenitrile, 3a,9b-dihydro-, cis-
SpectraBase Compound ID FcS2Xf25pXA
InChI InChI=1S/C13H14N2O2/c1-8(6-14)13-10-7-16-15-12(10)9-4-2-3-5-11(9)17-13/h2-5,8,10,12-13,15H,7H2,1H3
InChIKey IROPIPQJUNANSO-UHFFFAOYSA-N
Mol Weight 230.27 g/mol
Molecular Formula C13H14N2O2
Exact Mass 230.105528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JiIHsAOTGnH
Name 3H-[1]Benzopyrano[4,3-c]isoxazole-1(4H)-propanenitrile, 3a,9b-dihydro-, cis-
Alternate Name(s) 1-Cyanoethyl-1,3a,4,9b-tetrahydro-3H-isoxazolo[3,4-d]benzo[b]pyran 2-(1,3a,4,9b-tetrahydro-3H-chromeno[4,3-c]isoxazol-4-yl)propanenitrile
CAS Registry Number 89903-25-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N2O2
InChI InChI=1S/C13H14N2O2/c1-8(6-14)13-10-7-16-15-12(10)9-4-2-3-5-11(9)17-13/h2-5,8,10,12-13,15H,7H2,1H3
InChIKey IROPIPQJUNANSO-UHFFFAOYSA-N
Molecular Weight 230.267 g/mol
SMILES N1OCC2C1c1ccccc1OC2C(C#N)C
SPLASH splash10-0002-0920000000-245e55b95ae965d1bdaf
Source of Spectrum KC-1984-55-0
Wiley ID 1231798