SpectraBase Compound ID | 9xbRqiWYzIJ |
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InChI | InChI=1S/C16H21ClO4/c1-12(2)16(19)21-14-8-6-7-13(11-14)20-15(18)9-4-3-5-10-17/h6-8,11-12H,3-5,9-10H2,1-2H3 |
InChIKey | OEAVFBDDCWNMRF-UHFFFAOYSA-N |
Mol Weight | 312.79 g/mol |
Molecular Formula | C16H21ClO4 |
Exact Mass | 312.112837 g/mol |
SpectraBase Spectrum ID | 5nd8UyphP4d |
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Name | 1,3-Benzenediol, o-(6-chlorohexanoyl)-o'-(isobutyryl)- |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 312.112836852 u |
Formula | C16H21ClO4 |
InChI | InChI=1S/C16H21ClO4/c1-12(2)16(19)21-14-8-6-7-13(11-14)20-15(18)9-4-3-5-10-17/h6-8,11-12H,3-5,9-10H2,1-2H3 |
InChIKey | OEAVFBDDCWNMRF-UHFFFAOYSA-N |
Molecular Weight | 312.793 g/mol |
SMILES | C1(=CC(=CC=C1)OC(=O)CCCCCCl)OC(C(C)C)=O |