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(3aS*,6aR*)-Tetrahydro-1-(phenylmethyl)-1H,6H-furo[3,4-c]isoxazol-6-one
SpectraBase Compound ID AyVZXZhXSEd
InChI InChI=1S/C12H13NO3/c14-12-11-10(7-15-12)8-16-13(11)6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11+/m0/s1
InChIKey QQUNITLMKLCVPF-WDEREUQCSA-N
Mol Weight 219.24 g/mol
Molecular Formula C12H13NO3
Exact Mass 219.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2opCf08vgPq
Name (3aS*,6aR*)-Tetrahydro-1-(phenylmethyl)-1H,6H-furo[3,4-c]isoxazol-6-one
Comments Less than 3 mono-isotopic peaks
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Formula C12H13NO3
InChI InChI=1S/C12H13NO3/c14-12-11-10(7-15-12)8-16-13(11)6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11+/m0/s1
InChIKey QQUNITLMKLCVPF-WDEREUQCSA-N
Molecular Weight 219.240 g/mol
SMILES [C@]12(N(OC[C@@]1(COC2=O)[H])Cc1ccccc1)[H]
SPLASH splash10-0006-9010000000-832a446c71e57c3c7a50
Source of Spectrum F-51-113-10
Synonyms (3aS,6aR)-1-benzyltetrahydro-3H,6H-furo[3,4-c]isoxazol-6-one
Wiley ID 790502