Trinitrotoluene
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UA004205
Dataset description:
This MassBank record with Accession MSBNK-UFZ-UA004205 contains the MS2 mass spectrum of Trinitrotoluene with the InChIkey SPSSULHKWOKEEL-UHFFFAOYSA-N.
Source: Trinitrotoluene
Chemical Info
| InChI | InChI=1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChI Key | SPSSULHKWOKEEL-UHFFFAOYSA-N |
| Molecular Formula | C7H5N3O6 |
| Exact Mass | 227.018 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution 4.0 International (CC BY 4.0) |
| Id | b1dd980b-9f1c-4509-8f54-3f6b35f47c6e |
| Package id | msbnk-ufz-ua004205 |
| Resource type | HTML |
| State | active |