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2-(Adamantan-1-ylthio)benzaldehyde
SpectraBase Compound ID F2hgXHEsWeX
InChI InChI=1S/C17H20OS/c18-11-15-3-1-2-4-16(15)19-17-8-12-5-13(9-17)7-14(6-12)10-17/h1-4,11-14H,5-10H2/t12-,13+,14-,17-
InChIKey MYUHMLQNUDWBFR-ZZNDEYBLSA-N
Mol Weight 272.41 g/mol
Molecular Formula C17H20OS
Exact Mass 272.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5e40yHmASEe
Name 2-(Adamantan-1-ylthio)benzaldehyde
Alternate Name(s) 2-(((3s,5s,7s)-adamantan-1-yl)thio)benzaldehyde
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Formula C17H20OS
InChI InChI=1S/C17H20OS/c18-11-15-3-1-2-4-16(15)19-17-8-12-5-13(9-17)7-14(6-12)10-17/h1-4,11-14H,5-10H2/t12-,13+,14-,17-
InChIKey MYUHMLQNUDWBFR-ZZNDEYBLSA-N
Literature Reference DOI 10.1002/anie.201304844
Molecular Weight 272.406 g/mol
SMILES C1[C@]2(C[C@@]3(CC(C2)(C[C@]1(C3)[H])Sc1c(cccc1)C=O)[H])[H]
SPLASH splash10-000i-2900000000-248650a90f8d49f05206
Source of Spectrum ACI-52-SM4-arb7
Wiley ID 1781731