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(4RS,4aRS,7aSR)-6-Benzyl-5-oxo-4a,5,6,7,7a,8-hexahydro-4H-furo[2,3-f]isoindole-4-carboxylic acid
SpectraBase Compound ID K3f69KWNQek
InChI InChI=1S/C18H17NO4/c20-17-15-12(10-19(17)9-11-4-2-1-3-5-11)8-14-13(6-7-23-14)16(15)18(21)22/h1-7,12,15-16H,8-10H2,(H,21,22)/t12-,15-,16+/m0/s1
InChIKey KWUPRZDZHHHKTL-VBNZEHGJSA-N
Mol Weight 311.34 g/mol
Molecular Formula C18H17NO4
Exact Mass 311.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AeOIyna6DTc
Name (4RS,4aRS,7aSR)-6-Benzyl-5-oxo-4a,5,6,7,7a,8-hexahydro-4H-furo[2,3-f]isoindole-4-carboxylic acid
Alternate Name(s) (4S,4aS,7aR)-6-benzyl-5-oxo-4a,5,6,7,7a,8-hexahydro-4H-furo[2,3-f]isoindole-4-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17NO4
InChI InChI=1S/C18H17NO4/c20-17-15-12(10-19(17)9-11-4-2-1-3-5-11)8-14-13(6-7-23-14)16(15)18(21)22/h1-7,12,15-16H,8-10H2,(H,21,22)/t12-,15-,16+/m0/s1
InChIKey KWUPRZDZHHHKTL-VBNZEHGJSA-N
Literature Reference DOI 10.1016/j.tet.2016.03.023
Molecular Weight 311.337 g/mol
SMILES OC([C@]1([C@]2(C(N(C[C@@]2(Cc2occc12)[H])Cc1ccccc1)=O)[H])[H])=O
SPLASH splash10-014l-9340000000-918a005322d4ef0b1779
Source of Spectrum F-72-2246-14.6
Wiley ID 1805908