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((1S*,2S*)-2-Phenylethynylcyclopropyl)methanol

View entire compound with spectra: 1 MS (GC)

((1S*,2S*)-2-Phenylethynylcyclopropyl)methanol
SpectraBase Compound ID 8PbBr6dQo6X
InChI InChI=1S/C12H12O/c13-9-12-8-11(12)7-6-10-4-2-1-3-5-10/h1-5,11-13H,8-9H2/t11-,12+/m0/s1
InChIKey NYUKTQRLZRBTII-NWDGAFQWSA-N
Mol Weight 172.23 g/mol
Molecular Formula C12H12O
Exact Mass 172.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4rkxuRwmm
Name ((1S*,2S*)-2-Phenylethynylcyclopropyl)methanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O
InChI InChI=1S/C12H12O/c13-9-12-8-11(12)7-6-10-4-2-1-3-5-10/h1-5,11-13H,8-9H2/t11-,12+/m0/s1
InChIKey NYUKTQRLZRBTII-NWDGAFQWSA-N
Literature Reference DOI 10.1021/ol1029996
Molecular Weight 172.227 g/mol
SMILES OC[C@]1([H])[C@](C1)(C#Cc1ccccc1)[H]
SPLASH splash10-00ou-1900000000-892751a8b1e0d27d3077
Source of Spectrum A1-13-956/SMS11-20
Synonyms ((1S,2S)-2-(phenylethynyl)cyclopropyl)methanol
Wiley ID 1752770