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

*Links on SpectraBase are not permalinks.
Benzarone-M isomer-1 2AC
SpectraBase Compound ID BQ1NPmZZTob
InChI InChI=1S/C22H20O7/c1-5-17-19(20(25)14-6-8-15(9-7-14)27-12(2)23)16-10-11-18(26-4)22(21(16)29-17)28-13(3)24/h6-11H,5H2,1-4H3
InChIKey BJDGWYGQFYBPEY-UHFFFAOYSA-N
Mol Weight 396.4 g/mol
Molecular Formula C22H20O7
Exact Mass 396.120903 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 4xEtBIW51k
Name Benzarone-M isomer-3 2AC
Classification Capillary protectant
Comments Structure comment: Wiggly bond = unknown position of substituent
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 396.120902977 u
Formula C22H20O7
InChI InChI=1S/C22H20O7/c1-5-17-19(20(25)14-6-8-15(9-7-14)27-12(2)23)16-10-11-18(26-4)22(21(16)29-17)28-13(3)24/h6-11H,5H2,1-4H3
InChIKey BJDGWYGQFYBPEY-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 396.395 g/mol
SMILES c1(C(c2c(CC)oc3c2ccc(OC)c3OC(=O)C)=O)ccc(OC(C)=O)cc1
SPLASH splash10-0ik9-1649000000-4bb332c8b5b0c23db725
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: UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Benzarone-M (HO-methoxy-) isomer-3 2AC
Technique GC/MS
Wiley ID MMPW6e_2656