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4,5,6,6a-tetrahydro-6a-methoxy-6-methyl-3-phenyl-3aH-pyrrolo[3.2-d]isoxazol
SpectraBase Compound ID LZ9VZjYgcRr
InChI InChI=1S/C13H16N2O2/c1-15-9-8-11-12(10-6-4-3-5-7-10)14-17-13(11,15)16-2/h3-7,11H,8-9H2,1-2H3
InChIKey GTVZZTQPISCTRE-UHFFFAOYSA-N
Mol Weight 232.28 g/mol
Molecular Formula C13H16N2O2
Exact Mass 232.121178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3tB3wzdAEKL
Name 4,5,6,6a-tetrahydro-6a-methoxy-6-methyl-3-phenyl-3aH-pyrrolo[3.2-d]isoxazol
CAS Registry Number 104739-48-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N2O2
InChI InChI=1S/C13H16N2O2/c1-15-9-8-11-12(10-6-4-3-5-7-10)14-17-13(11,15)16-2/h3-7,11H,8-9H2,1-2H3
InChIKey GTVZZTQPISCTRE-UHFFFAOYSA-N
Molecular Weight 232.283 g/mol
SMILES C12(C(C(c3ccccc3)=NO1)CCN2C)OC
SPLASH splash10-03di-0910000000-01d8b2b136f225085a77
Source of Spectrum K-119-3598-13
Synonyms 6a-methoxy-6-methyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,2-d]isoxazole Methyl 6-methyl-3-phenyl-3a,4,5,6-tetrahydro-6aH-pyrrolo[3,2-d]isoxazol-6a-yl ether
Wiley ID 1233812