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2,3-Dihydro-2(S)-methyl-8-chloro-1,5-benzoxazepin-4(5H)-one

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

2,3-Dihydro-2(S)-methyl-8-chloro-1,5-benzoxazepin-4(5H)-one
SpectraBase Compound ID 20LuCPakshf
InChI InChI=1S/C10H10ClNO2/c1-6-4-10(13)12-8-3-2-7(11)5-9(8)14-6/h2-3,5-6H,4H2,1H3,(H,12,13)/t6-/m0/s1
InChIKey OBYMSPNSAICJJD-LURJTMIESA-N
Mol Weight 211.65 g/mol
Molecular Formula C10H10ClNO2
Exact Mass 211.040006 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C4hIBcnC1FX
Name 2,3-Dihydro-2(S)-methyl-8-chloro-1,5-benzoxazepin-4(5H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 211.040006264 u
Formula C10H10ClNO2
InChI InChI=1S/C10H10ClNO2/c1-6-4-10(13)12-8-3-2-7(11)5-9(8)14-6/h2-3,5-6H,4H2,1H3,(H,12,13)/t6-/m0/s1
InChIKey OBYMSPNSAICJJD-LURJTMIESA-N
Molecular Weight 211.648 g/mol
SMILES C1(NC=2C(O[C@](C1)(C)[H])=CC(=CC2)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.949051