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(S)-(+)-1-(4-Tert-Butylphenyl)-2-nitroethanol
SpectraBase Compound ID 3N2AGzv6x4P
InChI InChI=1S/C12H17NO3/c1-12(2,3)10-6-4-9(5-7-10)11(14)8-13(15)16/h4-7,11,14H,8H2,1-3H3/t11-/m1/s1
InChIKey IOSQLFTXAWKSLE-LLVKDONJSA-N
Mol Weight 223.27 g/mol
Molecular Formula C12H17NO3
Exact Mass 223.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0MBukKctUG
Name (S)-(+)-1-(4-Tert-Butylphenyl)-2-nitroethanol
Alternate Name(s) (S)-1-(4-(tert-butyl)phenyl)-2-nitroethanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO3
InChI InChI=1S/C12H17NO3/c1-12(2,3)10-6-4-9(5-7-10)11(14)8-13(15)16/h4-7,11,14H,8H2,1-3H3/t11-/m1/s1
InChIKey IOSQLFTXAWKSLE-LLVKDONJSA-N
Literature Reference DOI 10.1002/adsc.201200337
Molecular Weight 223.272 g/mol
SMILES O[C@@](c1ccc(cc1)C(C)(C)C)(C[N+](=O)[O-])[H]
SPLASH splash10-0bvi-4930000000-9acf7cfac47482a947d7
Source of Spectrum ASC-354-n/a/SM26-47
Wiley ID 1762703