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(1S,2S)-2-(2-phenylethynyl)cyclopropanecarbaldehyde
SpectraBase Compound ID 3t7fBxaMn6s
InChI InChI=1S/C12H10O/c13-9-12-8-11(12)7-6-10-4-2-1-3-5-10/h1-5,9,11-12H,8H2/t11-,12+/m0/s1
InChIKey JHDPTWIBGKNULE-NWDGAFQWSA-N
Mol Weight 170.21 g/mol
Molecular Formula C12H10O
Exact Mass 170.073165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6kjuc9mMANO
Name (1S,2S)-2-(2-phenylethynyl)cyclopropanecarbaldehyde
Appearance Colorless oil
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Formula C12H10O
InChI InChI=1S/C12H10O/c13-9-12-8-11(12)7-6-10-4-2-1-3-5-10/h1-5,9,11-12H,8H2/t11-,12+/m0/s1
InChIKey JHDPTWIBGKNULE-NWDGAFQWSA-N
Instrument Name TSQ 8000 Evo
Ionization Type EI
Literature Reference DOI 10.1002/anie.202000119
Molecular Weight 170.211 g/mol
SMILES c1cccc(c1)C#C[C@@]1([C@](C1)(C=O)[H])[H]
SPLASH splash10-00kf-0900000000-2de108cb207f175e81be
Sample Comments dr = 7:3
Source of Spectrum ACI-59-SM42-2p
Wiley ID 1857712