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

*Links on SpectraBase are not permalinks.
2C-P-M isomer-1 2AC
SpectraBase Compound ID 1wpAQNivrTv
InChI InChI=1S/C16H22O5/c1-5-6-13-10-16(21-12(3)18)14(9-15(13)19-4)7-8-20-11(2)17/h9-10H,5-8H2,1-4H3
InChIKey KRORGQCRMVZYEU-UHFFFAOYSA-N
Mol Weight 294.35 g/mol
Molecular Formula C16H22O5
Exact Mass 294.146724 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 25sZMxaKbg
Name 2C-P-M isomer-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 294.146723803 u
Formula C16H22O5
InChI InChI=1S/C16H22O5/c1-5-6-13-10-16(21-12(3)18)14(9-15(13)19-4)7-8-20-11(2)17/h9-10H,5-8H2,1-4H3
InChIKey KRORGQCRMVZYEU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 294.347 g/mol
SMILES C(OC(C)=O)Cc1c(cc(c(OC)c1)CCC)OC(C)=O
SPLASH splash10-0006-2910000000-3f6f0c2c2f5a6113a941
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.
Sample Preparation Procedure Detected: U+UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms 2C-P-M (O-demethyl-deamino-HO-) isomer- AC
Technique GC/MS
Wiley ID MMPW6e_8939