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(3aR,5R)-5-chloro-8-methyl-2,3,3a,4,5,6-hexahydro-1H-benzo[f]pyrrolo[1,2-a]azepin-1-one
SpectraBase Compound ID F9S6wRRSMKw
InChI InChI=1S/C14H16ClNO/c1-9-2-4-13-10(6-9)7-11(15)8-12-3-5-14(17)16(12)13/h2,4,6,11-12H,3,5,7-8H2,1H3/t11-,12-/m1/s1
InChIKey KPSDJFUPWCIEOI-VXGBXAGGSA-N
Mol Weight 249.74 g/mol
Molecular Formula C14H16ClNO
Exact Mass 249.092042 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FxqMZ7bCAqz
Name (3aR,5R)-5-chloro-8-methyl-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 C14H16ClNO
InChI InChI=1S/C14H16ClNO/c1-9-2-4-13-10(6-9)7-11(15)8-12-3-5-14(17)16(12)13/h2,4,6,11-12H,3,5,7-8H2,1H3/t11-,12-/m1/s1
InChIKey KPSDJFUPWCIEOI-VXGBXAGGSA-N
Molecular Weight 249.741 g/mol
SMILES c1(cc2c(cc1)N1[C@@](C[C@](Cl)(C2)[H])(CCC1=O)[H])C
SPLASH splash10-03dj-0390000000-dffb471b4737c9c5c303
Source of Spectrum A1-12-1696/SM13-4b
Wiley ID 1751985