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

*Links on SpectraBase are not permalinks.
Cocaine
SpectraBase Compound ID IF7MhkKKIfC
InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1
InChIKey ZPUCINDJVBIVPJ-LJISPDSOSA-N
Mol Weight 303.36 g/mol
Molecular Formula C17H21NO4
Exact Mass 303.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID B0tT3ELprWq
Name (3S,4R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 303.147058156 u
Formula C17H21NO4
GC Column EC-5 (30 m ?? 0.32 mm, film thickness 1.00 micrometer)
GC Oven Program Oven temp 280oC
InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1
InChIKey ZPUCINDJVBIVPJ-LJISPDSOSA-N
Inlet Type Splitless
Instrument Name Shimadzu GC-17A
Ionization Type EI
Literature Reference DOI 10.1002/jssc.200800117
Quality 788
SMILES CN1[C@@]2(CC[C@]1(C[C@@]([C@@]2(C(=O)OC)[H])(OC(=O)C1=CC=CC=C1)[H])[H])[H]
SPLASH splash10-001i-9300000000-d746647418c2daf5ec2c
Source of Spectrum SEP-31-2448-Cocaine (DOI: 10.1002/jssc.200800117)
Wiley ID 1909612