SpectraBase Compound ID | 3MDRs4HRCBw |
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InChI | InChI=1S/C16H20N2O3S/c19-13-4-12(17-15(18-13)22-8-14(20)21)16-5-9-1-10(6-16)3-11(2-9)7-16/h4,9-11H,1-3,5-8H2,(H,20,21)(H,17,18,19)/t9-,10+,11-,16- |
InChIKey | BQOYNOBIGAWXBH-XMEMTASGSA-N |
Mol Weight | 320.41 g/mol |
Molecular Formula | C16H20N2O3S |
Exact Mass | 320.119464 g/mol |
SpectraBase Spectrum ID | 54jvCegCfzL |
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Name | {[6-(1-adamantyl)-4-hydroxy-2-pyrimidinyl]thio]acetic acid |
Conditions | Acidic |
Copyright | Copyright © 2008-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C16H20N2O3S |
InChI | InChI=1S/C16H20N2O3S/c19-13-4-12(17-15(18-13)22-8-14(20)21)16-5-9-1-10(6-16)3-11(2-9)7-16/h4,9-11H,1-3,5-8H2,(H,20,21)(H,17,18,19)/t9-,10+,11-,16- |
InChIKey | BQOYNOBIGAWXBH-XMEMTASGSA-N |
Sadtler IR Number | 39751 |
Sadtler UV Number | 17962A |
Solvent | Methanol |