SpectraBase Compound ID | Hq7bbhFR7RF |
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InChI | InChI=1S/C11H18O3/c1-7-4-5-9(10(12)6-7)8(2)11(13)14-3/h7-9H,4-6H2,1-3H3/t7-,8+,9+/m1/s1 |
InChIKey | PMNZEBMZCPFWLQ-VGMNWLOBSA-N |
Mol Weight | 198.26 g/mol |
Molecular Formula | C11H18O3 |
Exact Mass | 198.125594 g/mol |
SpectraBase Spectrum ID | KebUKejLlcG |
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Name | (1S,4R,8S)-3-oxo-p-menthan-9-oic acid |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C11H18O3 |
InChI | InChI=1S/C11H18O3/c1-7-4-5-9(10(12)6-7)8(2)11(13)14-3/h7-9H,4-6H2,1-3H3/t7-,8+,9+/m1/s1 |
InChIKey | PMNZEBMZCPFWLQ-VGMNWLOBSA-N |
Molecular Weight | 198.262 g/mol |
SMILES | C1([C@]([C@@](C(=O)OC)(C)[H])(CC[C@](C1)(C)[H])[H])=O |
SPLASH | splash10-02t9-9700000000-9f35db5d7372831605f4 |
Source of Spectrum | QC-22-1461-16a |
Wiley ID | 1691431 |