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

View entire compound with spectra: 1 MS (GC)

((1R*,2S*)-2-Phenylethynylcyclopropyl)methanol
SpectraBase Compound ID 9uQCLoq4yLE
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-RYUDHWBXSA-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 BPrGW3n7x3k
Name ((1R*,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-RYUDHWBXSA-N
Literature Reference DOI 10.1021/ol1029996
Molecular Weight 172.227 g/mol
SMILES OC[C@]1([C@](C1)(C#Cc1ccccc1)[H])[H]
SPLASH splash10-004l-0900000000-8fa49c543330f6171f94
Source of Spectrum A1-13-956/SMS3-2
Synonyms ((1R,2S)-2-(phenylethynyl)cyclopropyl)methanol
Wiley ID 1752780