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(3S)-Heptanol, (2S)-[(tert.butyloxycarbonyl)amino]-
SpectraBase Compound ID FyVQRyWB02M
InChI InChI=1S/C12H25NO3/c1-6-7-8-10(14)9(2)13-11(15)16-12(3,4)5/h9-10,14H,6-8H2,1-5H3,(H,13,15)
InChIKey JKWJOLUDIGCCDZ-UHFFFAOYSA-N
Mol Weight 231.34 g/mol
Molecular Formula C12H25NO3
Exact Mass 231.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Nl80UlPLoJ
Name (3S)-Heptanol, (2S)-[(tert.butyloxycarbonyl)amino]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H25NO3
InChI InChI=1S/C12H25NO3/c1-6-7-8-10(14)9(2)13-11(15)16-12(3,4)5/h9-10,14H,6-8H2,1-5H3,(H,13,15)
InChIKey JKWJOLUDIGCCDZ-UHFFFAOYSA-N
Molecular Weight 231.336 g/mol
SMILES OC(C(NC(OC(C)(C)C)=O)C)CCCC
SPLASH splash10-052f-9100000000-f7c018957a92c3cb711e
Synonyms (3R)-Heptanol, (2S)-[(tert.butyloxycarbonyl)amino]- N-(2-hydroxy-1-methyl-hexyl)carbamic acid tert-butyl ester N-(3-hydroxyheptan-2-yl)carbamic acid tert-butyl ester tert-Butyl 2-hydroxy-1-methylhexylcarbamate tert-Butyl N-(2-hydroxy-1-methyl-hexyl)carbamate tert-Butyl N-(3-hydroxyheptan-2-yl)carbamate tert-Butyl N-(3-oxidanylheptan-2-yl)carbamate
Wiley ID 1491919