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N-Phenoxycarbonyl-1,4,9,10-tetrahydro-4,9-methano-10(S)-exo-hydroxybenzo[4,5]cyclohepta[1,2-b]pyrrole
SpectraBase Compound ID DOEs2HWU9GM
InChI InChI=1S/C21H17NO3/c23-20-18-12-17(14-8-4-5-9-15(14)18)16-10-11-22(19(16)20)21(24)25-13-6-2-1-3-7-13/h1-11,17-18,20,23H,12H2/t17-,18+,20+/m1/s1
InChIKey KGIHHNZJWOFTKM-QLOJAFMTSA-N
Mol Weight 331.37 g/mol
Molecular Formula C21H17NO3
Exact Mass 331.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GgX0s32Y57x
Name N-Phenoxycarbonyl-1,4,9,10-tetrahydro-4,9-methano-10(S)-exo-hydroxybenzo[4,5]cyclohepta[1,2-b]pyrrole
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17NO3
InChI InChI=1S/C21H17NO3/c23-20-18-12-17(14-8-4-5-9-15(14)18)16-10-11-22(19(16)20)21(24)25-13-6-2-1-3-7-13/h1-11,17-18,20,23H,12H2/t17-,18+,20+/m1/s1
InChIKey KGIHHNZJWOFTKM-QLOJAFMTSA-N
Molecular Weight 331.371 g/mol
SMILES O[C@]1([C@@]2(c3ccccc3[C@](c3c1[n](C(Oc1ccccc1)=O)cc3)(C2)[H])[H])[H]
SPLASH splash10-004i-9002000000-589174610b56c17e9fc6
Source of Spectrum F-68-7526-13
Synonyms N-Phenoxycarbonyl-1,4,9,10-tetrahydro-4,9-methano-10-exo-hydroxybenzo[4,5]cyclohepta[1,2-b]pyrrole phenyl (7S)-7-hydroxy-5-azatetracyclo[6.6.1.0(2,6).0(9,14)]pentadeca-2(6),3,9,11,13-pentaene-5-carboxylate
Wiley ID 1573397