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8-chloro-5-phenyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

8-chloro-5-phenyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine
SpectraBase Compound ID 96tAuRUWfnS
InChI InChI=1S/C16H16ClNO/c17-14-7-8-16-13(11-14)12-18(9-4-10-19-16)15-5-2-1-3-6-15/h1-3,5-8,11H,4,9-10,12H2
InChIKey PIJAGERIVXTQBO-UHFFFAOYSA-N
Mol Weight 273.76 g/mol
Molecular Formula C16H16ClNO
Exact Mass 273.092042 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 1VUdZmje2uP
Name 8-Chloro-5-phenyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 273.092041838 u
Formula C16H16ClNO
InChI InChI=1S/C16H16ClNO/c17-14-7-8-16-13(11-14)12-18(9-4-10-19-16)15-5-2-1-3-6-15/h1-3,5-8,11H,4,9-10,12H2
InChIKey PIJAGERIVXTQBO-UHFFFAOYSA-N
SMILES C=1C2=C(C=C(C1)Cl)CN(CCCO2)C=1C=CC=CC1
Spectrum/Structure Validation Score (Raman) 0.876628