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(Z,E)-(3aS*,7aR*)-3-phenyl-3a,4,5,6-tetrahydrobenzo[d]isoxazol-7(7aH)-one oxime
SpectraBase Compound ID 9GoEW0WBuKt
InChI InChI=1S/C13H14N2O2/c16-14-11-8-4-7-10-12(15-17-13(10)11)9-5-2-1-3-6-9/h1-3,5-6,10,13,16H,4,7-8H2/b14-11+/t10-,13+/m0/s1
InChIKey ALVFSSHTSHQKOP-QENXKPKHSA-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 LH4xMl51pf3
Name (Z,E)-(3aS*,7aR*)-3-phenyl-3a,4,5,6-tetrahydrobenzo[d]isoxazol-7(7aH)-one oxime
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N2O2
InChI InChI=1S/C13H14N2O2/c16-14-11-8-4-7-10-12(15-17-13(10)11)9-5-2-1-3-6-9/h1-3,5-6,10,13,16H,4,7-8H2/b14-11+/t10-,13+/m0/s1
InChIKey ALVFSSHTSHQKOP-QENXKPKHSA-N
Literature Reference DOI 10.1021/ol502258n
Molecular Weight 230.267 g/mol
SMILES O\N=C\1[C@@]2(ON=C(c3ccccc3)[C@@]2(CCC1)[H])[H]
SPLASH splash10-01q9-7790000000-da94d75244229cd5b61d
Source of Spectrum A1-16-4650/SMS23-3j
Synonyms (3aS,7aR,E)-3-phenyl-3a,4,5,6-tetrahydrobenzo[d]isoxazol-7(7aH)-one oxime
Wiley ID 1751271