SpectraBase Compound ID | BUe6ZTAIuYu |
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InChI | InChI=1S/C8H13Cl/c9-5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2/t6-,7+,8+/m1/s1 |
InChIKey | AJUNCBWYYOFIGU-CSMHCCOUSA-N |
Mol Weight | 144.64 g/mol |
Molecular Formula | C8H13Cl |
Exact Mass | 144.070578 g/mol |
SpectraBase Spectrum ID | 7Upk8kJKC2y |
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Name | 2-(Chloromethyl)norbornane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 144.070578119 u |
Formula | C8H13Cl |
InChI | InChI=1S/C8H13Cl/c9-5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2/t6-,7+,8+/m1/s1 |
InChIKey | AJUNCBWYYOFIGU-CSMHCCOUSA-N |
Molecular Weight | 144.645 g/mol |
SMILES | [C@@]12([C@@](C[C@@](C2)(CC1)[H])(CCl)[H])[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.875066 |