| SpectraBase Spectrum ID |
2n2oADu61WC |
| Name |
Heptanoic acid TMS |
| CAS Registry Number |
54889-52-0 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
202.138906481 u |
| Formula |
C10H22O2Si |
| InChI |
InChI=1S/C10H22O2Si/c1-5-6-7-8-9-10(11)12-13(2,3)4/h5-9H2,1-4H3 |
| InChIKey |
AMUGRUMFZAKWNM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
202.369 g/mol |
| Nominal Mass |
202 u |
| Quality |
1000 |
| Retention Index |
1361 |
| SMILES |
C(O[Si](C)(C)C)(CCCCCC)=O |
| SPLASH |
splash10-00ui-7900000000-6e415f656c1c1ac34037 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
trimethylsilyl heptanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_026205 |
