For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Halazepam-M (HO-methoxy-) HYAC

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

Halazepam-M (HO-methoxy-) HYAC
SpectraBase Compound ID ESpJIaVTtt7
InChI InChI=1S/C18H15ClF3NO4/c1-10(24)27-16-7-11(3-6-15(16)26-2)17(25)13-8-12(19)4-5-14(13)23-9-18(20,21)22/h3-8,23H,9H2,1-2H3
InChIKey XMBFULMOXJRNAP-UHFFFAOYSA-N
Mol Weight 401.77 g/mol
Molecular Formula C18H15ClF3NO4
Exact Mass 401.06417 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3KDDNitOKol
Name Halazepam-m (ho-methoxy-) hyac P1448
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 401.064170152 u
Formula C18H15ClF3NO4
InChI InChI=1S/C18H15ClF3NO4/c1-10(24)27-16-7-11(3-6-15(16)26-2)17(25)13-8-12(19)4-5-14(13)23-9-18(20,21)22/h3-8,23H,9H2,1-2H3
InChIKey XMBFULMOXJRNAP-UHFFFAOYSA-N
Molecular Weight 401.769 g/mol
SMILES C=1C=C(C(C(=O)C2=CC=C(C(=C2)OC(C)=O)OC)=CC1Cl)NCC(F)(F)F