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(3aR,5R)-5,8-dichloro-2,3,3a,4,5,6-hexahydro-1H-benzo[f]pyrrolo[1,2-a]azepin-1-one
SpectraBase Compound ID 8WPHjyJ9nK1
InChI InChI=1S/C13H13Cl2NO/c14-9-1-3-12-8(5-9)6-10(15)7-11-2-4-13(17)16(11)12/h1,3,5,10-11H,2,4,6-7H2/t10-,11-/m1/s1
InChIKey LUJQLXNUABAPHF-GHMZBOCLSA-N
Mol Weight 270.16 g/mol
Molecular Formula C13H13Cl2NO
Exact Mass 269.037419 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EP7LrJNgA5q
Name (3aR,5R)-5,8-dichloro-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 C13H13Cl2NO
InChI InChI=1S/C13H13Cl2NO/c14-9-1-3-12-8(5-9)6-10(15)7-11-2-4-13(17)16(11)12/h1,3,5,10-11H,2,4,6-7H2/t10-,11-/m1/s1
InChIKey LUJQLXNUABAPHF-GHMZBOCLSA-N
Literature Reference DOI 10.1021/ol100220c
Molecular Weight 270.159 g/mol
SMILES c1(cc2c(cc1)N1[C@@](C[C@](Cl)(C2)[H])(CCC1=O)[H])Cl
SPLASH splash10-01cr-0490000000-217ea80975685f49404b
Source of Spectrum A1-12-1696/SM14-4d
Wiley ID 1751987