| SpectraBase Spectrum ID |
JIxi6hcoqTw |
| Name |
Methyl octan-2-yl phthalate |
| CAS Registry Number |
56166-83-7 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
292.167459249 u |
| Formula |
C17H24O4 |
| InChI |
InChI=1S/C17H24O4/c1-4-5-6-7-10-13(2)21-17(19)15-12-9-8-11-14(15)16(18)20-3/h8-9,11-13H,4-7,10H2,1-3H3 |
| InChIKey |
HTUZBKJZBAWKPB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
292.375 g/mol |
| Nominal Mass |
292 u |
| Quality |
996 |
| Retention Index |
2090 |
| SMILES |
C=1(C(C(OC)=O)=CC=CC1)C(OC(CCCCCC)C)=O |
| SPLASH |
splash10-03di-4900000000-1a77d3cf9673eb28114b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-methyl 2-(octan-2-yl) benzene-1,2-dicarboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_033156 |
