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(3aR,5R)-5-chloro-9-vinyl-2,3,3a,4,5,6-hexahydro-1H-benzo[f]pyrrolo[1,2-a]azepin-1-one
SpectraBase Compound ID HDJmV32uEQh
InChI InChI=1S/C15H16ClNO/c1-2-10-3-4-11-8-12(16)9-13-5-6-15(18)17(13)14(11)7-10/h2-4,7,12-13H,1,5-6,8-9H2/t12-,13-/m1/s1
InChIKey RUBKXGSPFJRJAN-CHWSQXEVSA-N
Mol Weight 261.75 g/mol
Molecular Formula C15H16ClNO
Exact Mass 261.092042 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DlrdwFyHLfO
Name (3aR,5R)-5-chloro-9-vinyl-2,3,3a,4,5,6-hexahydro-1H-benzo[f]pyrrolo[1,2-a]azepin-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16ClNO
InChI InChI=1S/C15H16ClNO/c1-2-10-3-4-11-8-12(16)9-13-5-6-15(18)17(13)14(11)7-10/h2-4,7,12-13H,1,5-6,8-9H2/t12-,13-/m1/s1
InChIKey RUBKXGSPFJRJAN-CHWSQXEVSA-N
Literature Reference DOI 10.1021/ol100220c
Molecular Weight 261.752 g/mol
SMILES c1cc2c(cc1C=C)N1[C@@](C[C@](Cl)(C2)[H])(CCC1=O)[H]
SPLASH splash10-03fr-0190000000-c444d4a9038e130934b7
Source of Spectrum A1-12-1696/SM19-4q
Wiley ID 1751990