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(Adamantan-1-yl)acetic acid, (benzothiazol-2-yl)methyl ester
SpectraBase Compound ID JN1x0H784cy
InChI InChI=1S/C20H23NO2S/c22-19(23-12-18-21-16-3-1-2-4-17(16)24-18)11-20-8-13-5-14(9-20)7-15(6-13)10-20/h1-4,13-15H,5-12H2/t13-,14+,15-,20-
InChIKey SGYJWQMKLAMHHE-PVGDPBLGSA-N
Mol Weight 341.47 g/mol
Molecular Formula C20H23NO2S
Exact Mass 341.14495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1aWtenvSzxo
Name (Adamantan-1-yl)acetic acid, (benzothiazol-2-yl)methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23NO2S
InChI InChI=1S/C20H23NO2S/c22-19(23-12-18-21-16-3-1-2-4-17(16)24-18)11-20-8-13-5-14(9-20)7-15(6-13)10-20/h1-4,13-15H,5-12H2/t13-,14+,15-,20-
InChIKey SGYJWQMKLAMHHE-PVGDPBLGSA-N
Molecular Weight 341.469 g/mol
SMILES C1C2(C[C@]3(C[C@@]1(C[C@](C3)(C2)[H])[H])[H])CC(OCc1sc2ccccc2n1)=O
SPLASH splash10-014i-4900000000-d178552129b00a4cced8
Synonyms 1,3-benzothiazol-2-ylmethyl 2-(1-adamantyl)acetate 1,3-benzothiazol-2-ylmethyl 2-(1-adamantyl)ethanoate 2-(1-adamantyl)acetic acid 1,3-benzothiazol-2-ylmethyl ester
Wiley ID 1447313