| SpectraBase Compound ID | cqzzFz2Bce |
|---|---|
| InChI | InChI=1S/C9H20/c1-4-7-8-9(5-2)6-3/h9H,4-8H2,1-3H3 |
| InChIKey | PSVQKOKKLWHNRP-UHFFFAOYSA-N |
| Mol Weight | 128.26 g/mol |
| Molecular Formula | C9H20 |
| Exact Mass | 128.156501 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GSTULB2qzgs |
|---|---|
| Name | Heptane, 3-ethyl- |
| Alternate Name(s) | 3-Ethylheptane |
| CAS Registry Number | 15869-80-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H20 |
| InChI | InChI=1S/C9H20/c1-4-7-8-9(5-2)6-3/h9H,4-8H2,1-3H3 |
| InChIKey | PSVQKOKKLWHNRP-UHFFFAOYSA-N |
| Molecular Weight | 128.259 g/mol |
| SMILES | CCCCC(CC)CC |
| SPLASH | splash10-0a4l-9000000000-71e434223d4824a11c6a |
| Source of Spectrum | AA-0-570-1 |
| Wiley ID | 5442 |