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3H-Pyrazolo[5,1-e][1,6]benzoxazocine, 3a,4,5,6-tetrahydro-2-phenyl-
SpectraBase Compound ID Ii02oWtRTyg
InChI InChI=1S/C18H18N2O/c1-2-7-14(8-3-1)16-13-15-9-6-12-21-18-11-5-4-10-17(18)20(15)19-16/h1-5,7-8,10-11,15H,6,9,12-13H2
InChIKey RQYQLEHVSXJCMI-UHFFFAOYSA-N
Mol Weight 278.35 g/mol
Molecular Formula C18H18N2O
Exact Mass 278.141913 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8IHoADT4i5b
Name 3H-Pyrazolo[5,1-e][1,6]benzoxazocine, 3a,4,5,6-tetrahydro-2-phenyl-
CAS Registry Number 107195-74-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18N2O
InChI InChI=1S/C18H18N2O/c1-2-7-14(8-3-1)16-13-15-9-6-12-21-18-11-5-4-10-17(18)20(15)19-16/h1-5,7-8,10-11,15H,6,9,12-13H2
InChIKey RQYQLEHVSXJCMI-UHFFFAOYSA-N
Molecular Weight 278.355 g/mol
SMILES C1(=NN2C(C1)CCCOc1c2cccc1)c1ccccc1
SPLASH splash10-004i-0090000000-cfebbfd7bcfa9bb1e7d9
Source of Spectrum H-69-939-14
Synonyms 2-Phenyl-3a,4,5,6-tetrahydro-3H-pyrazolo[3,2-e][1,6]benzoxazocin 2-phenyl-3a,4,5,6-tetrahydro-3H-pyrazolo[5,1-e][1,6]benzoxazocine
Wiley ID 1282421