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2-Acetoxy-3-phenyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine
SpectraBase Compound ID IzFIisoR9QD
InChI InChI=1S/C17H19NO2/c1-13(19)20-16-12-15-10-6-3-7-11-18(15)17(16)14-8-4-2-5-9-14/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3
InChIKey IEXLKEVMCGYFRA-UHFFFAOYSA-N
Mol Weight 269.34 g/mol
Molecular Formula C17H19NO2
Exact Mass 269.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F9ADDXfT2bC
Name 2-Acetoxy-3-phenyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine
Alternate Name(s) 3-Phenyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepin-2-yl acetate
CAS Registry Number 115860-68-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19NO2
InChI InChI=1S/C17H19NO2/c1-13(19)20-16-12-15-10-6-3-7-11-18(15)17(16)14-8-4-2-5-9-14/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3
InChIKey IEXLKEVMCGYFRA-UHFFFAOYSA-N
Molecular Weight 269.344 g/mol
SMILES c1(c([n]2CCCCCc2c1)-c1ccccc1)OC(=O)C
SPLASH splash10-004i-0090000000-2eceb8c202b24f44b945
Source of Spectrum J-53-5685-9
Wiley ID 1273391