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Benzeneacetic acid, 6-(acetyloxy)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (3-endo,6-exo)-
SpectraBase Compound ID 3RxHrQ9fzLT
InChI InChI=1S/C18H23NO4/c1-12(20)22-17-10-14-9-15(11-16(17)19(14)2)23-18(21)8-13-6-4-3-5-7-13/h3-7,14-17H,8-11H2,1-2H3/t14-,15?,16-,17-/m1/s1
InChIKey PQJZUIOEFRGPGF-FNAUVDMUSA-N
Mol Weight 317.39 g/mol
Molecular Formula C18H23NO4
Exact Mass 317.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9StmHJwNhBq
Name Benzeneacetic acid, 6-(acetyloxy)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (3-endo,6-exo)-
Alternate Name(s) 6-(acetyloxy)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl phenylacetate Tropane-3.alpha.,6.beta.-diol-3-phenylacetate-6-acetate
CAS Registry Number 97345-82-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23NO4
InChI InChI=1S/C18H23NO4/c1-12(20)22-17-10-14-9-15(11-16(17)19(14)2)23-18(21)8-13-6-4-3-5-7-13/h3-7,14-17H,8-11H2,1-2H3/t14-,15?,16-,17-/m1/s1
InChIKey PQJZUIOEFRGPGF-FNAUVDMUSA-N
Molecular Weight 317.385 g/mol
SMILES [C@]12(N([C@@](C[C@]2(OC(=O)C)[H])(CC(OC(=O)Cc2ccccc2)C1)[H])C)[H]
SPLASH splash10-000f-6900000000-9e2c186e8228041c5a3a
Source of Spectrum KC-1986-959-7
Wiley ID 1317723