| SpectraBase Spectrum ID |
3FKAF7IOwK |
| Name |
1,2,3,7,8-PCDD |
| CAS Registry Number |
40321-76-4 |
| Classification |
Chemical |
| Comments |
Original RI info: ----* |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
353.857567835 u |
| Formula |
C12H3Cl5O2 |
| InChI |
InChI=1S/C12H3Cl5O2/c13-4-1-7-8(2-5(4)14)19-12-9(18-7)3-6(15)10(16)11(12)17/h1-3H |
| InChIKey |
FSPZPQQWDODWAU-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
356.419 g/mol |
| SMILES |
c12cc(c(cc2Oc2c(c(c(c(c2)Cl)Cl)Cl)O1)Cl)Cl |
| SPLASH |
splash10-0a4i-7945000000-764a84e1e627551dd115 |
| 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 |
1,2,3,7,8-Pentachlorodibenzo-p-dioxin (PCDD) |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_3494 |
