| SpectraBase Spectrum ID |
LRTPy4816HZ |
| Name |
1-Nitropyrene |
| CAS Registry Number |
5522-43-0 |
| Classification |
Chemical |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
247.063328532 u |
| Formula |
C16H9NO2 |
| InChI |
InChI=1S/C16H9NO2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H |
| InChIKey |
ALRLPDGCPYIVHP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
247.253 g/mol |
| SMILES |
c1ccc2c3c1ccc1ccc(c(c31)cc2)[N+]([O-])=O |
| SPLASH |
splash10-0udj-2790000000-ab93b5411fb1953a3494 |
| 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 |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_9201 |
