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Benzeneacetic acid, .alpha.-(hydroxymethyl)-, 8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl ester
SpectraBase Compound ID BHCnzcwWVGp
InChI InChI=1S/C17H21NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-8,13-16,19H,9-11H2,1H3/t13-,14+,15?,16?
InChIKey NZJZSPMNEYIORP-PJPHBNEVSA-N
Mol Weight 287.36 g/mol
Molecular Formula C17H21NO3
Exact Mass 287.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6HPJwBvWPyV
Name Benzeneacetic acid, .alpha.-(hydroxymethyl)-, 8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl ester
Alternate Name(s) 8-Methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl tropate (8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) 3-hydroxy-2-phenyl-propanoate (8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) 3-oxidanyl-2-phenyl-propanoate 3-Hydroxy-2-phenyl-propionic acid (8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) ester 3-Hydroxy-2-phenylpropanoic acid (8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) ester
CAS Registry Number 54725-48-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO3
InChI InChI=1S/C17H21NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-8,13-16,19H,9-11H2,1H3/t13-,14+,15?,16?
InChIKey NZJZSPMNEYIORP-PJPHBNEVSA-N
Molecular Weight 287.359 g/mol
SMILES OCC(c1ccccc1)C(=O)OC1C[C@@]2(C=C[C@](C1)(N2C)[H])[H]
SPLASH splash10-007o-9400000000-27bab8ce8eb94c694bfa
Source of Spectrum F-20-595-9
Wiley ID 1290879