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(3R*,3aS*,4S*,6aR*)-Tetrahydro-1-(phenylmethyl)-3,4-propano-1H,6H-furo[3,4-c]isoxazol-6-one
SpectraBase Compound ID H57q9lCNSjD
InChI InChI=1S/C15H17NO3/c17-15-14-13-11(18-15)7-4-8-12(13)19-16(14)9-10-5-2-1-3-6-10/h1-3,5-6,11-14H,4,7-9H2/t11-,12+,13-,14+/m0/s1
InChIKey PDZDJUHKHMEDBV-RFQIPJPRSA-N
Mol Weight 259.3 g/mol
Molecular Formula C15H17NO3
Exact Mass 259.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 77yj97nRN3g
Name (3R*,3aS*,4S*,6aR*)-Tetrahydro-1-(phenylmethyl)-3,4-propano-1H,6H-furo[3,4-c]isoxazol-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17NO3
InChI InChI=1S/C15H17NO3/c17-15-14-13-11(18-15)7-4-8-12(13)19-16(14)9-10-5-2-1-3-6-10/h1-3,5-6,11-14H,4,7-9H2/t11-,12+,13-,14+/m0/s1
InChIKey PDZDJUHKHMEDBV-RFQIPJPRSA-N
Molecular Weight 259.305 g/mol
SMILES [C@@]12(N(O[C@]3([C@@]2([C@@](CCC3)([H])OC1=O)[H])[H])Cc1ccccc1)[H]
SPLASH splash10-0006-9110000000-380b7fb5d45ae4ddd211
Source of Spectrum F-51-115-14
Synonyms (2aR,4aS,7aR,7bS)-2-Benzyl-octahydro-1,4-dioxa-2-aza-cyclopenta[cd]inden-3-one (2aR,4aS,7aR,7bS)-2-benzyloctahydro-3H-furo[4,3,2-cd][1,2]benzisoxazol-3-one
Wiley ID 790494