SpectraBase Compound ID | KA7jLlIbLjx |
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InChI | InChI=1S/C10H17Cl/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6,8H2,1-3H3/b10-7+ |
InChIKey | WLAUCMCTKPXDIY-JXMROGBWSA-N |
Mol Weight | 172.7 g/mol |
Molecular Formula | C10H17Cl |
Exact Mass | 172.101878 g/mol |
SpectraBase Spectrum ID | IVwf6RIPxqz |
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Name | Geranyl chloride |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 172.101878247 u |
Formula | C10H17Cl |
InChI | InChI=1S/C10H17Cl/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6,8H2,1-3H3/b10-7+ |
InChIKey | WLAUCMCTKPXDIY-JXMROGBWSA-N |
Molecular Weight | 172.699 g/mol |
SMILES | C(\C=C/(C)CCC=C(C)C)Cl |
Spectrum/Structure Validation Score (Raman) | 0.977488 |