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

*Links on SpectraBase are not permalinks.
PCPR-M (2''-HO-4'-HO-) iso-1 2AC
SpectraBase Compound ID B9mh9WI34PU
InChI InChI=1S/C19H27NO4/c1-14(23-15(2)21)13-20-19(17-7-5-4-6-8-17)11-9-18(10-12-19)24-16(3)22/h4-8,14,18,20H,9-13H2,1-3H3
InChIKey HOARBYBTPXIJNU-UHFFFAOYSA-N
Mol Weight 333.43 g/mol
Molecular Formula C19H27NO4
Exact Mass 333.194008 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 1KD762ZRw0
Name PCPR-M (2''-HO-4'-HO-) iso-2 2AC
Classification Designer drug
Comments Structure comment: Wiggly bond = unknown position of substituent
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 333.194008349 u
Formula C19H27NO4
InChI InChI=1S/C19H27NO4/c1-14(23-15(2)21)13-20-19(17-7-5-4-6-8-17)11-9-18(10-12-19)24-16(3)22/h4-8,14,18,20H,9-13H2,1-3H3
InChIKey HOARBYBTPXIJNU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 333.428 g/mol
SMILES c1(C2(NCC(C)OC(C)=O)CCC(CC2)OC(=O)C)ccccc1
SPLASH splash10-05gi-1950000000-be510fb27fd2ff6069b7
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms PCPR-M (2''-HO-4'-HO-) isomer-2 2AC 1-(1-Phenylcyclohexyl)-propanamine-M (2''-HO-4'-HO-) isomer-2 2AC
Technique GC/MS
Wiley ID MMPW6e_7404