| SpectraBase Spectrum ID |
DJKRcto6BgB |
| Name |
Benzarone-M (HO-) 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 |
366.110338294 u |
| Formula |
C21H18O6 |
| InChI |
InChI=1S/C21H18O6/c1-4-18-20(17-10-9-16(26-13(3)23)11-19(17)27-18)21(24)14-5-7-15(8-6-14)25-12(2)22/h5-11H,4H2,1-3H3 |
| InChIKey |
BNEPNKMIZZKXOB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
366.369 g/mol |
| SMILES |
c1(C(c2c(CC)oc3cc(OC(C)=O)ccc23)=O)ccc(cc1)OC(C)=O |
| SPLASH |
splash10-01c0-1295000000-ff53395482af3f35ee1b |
| 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 |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_2651 |
