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Heptanenitrile, 5-hydroxy-7-(methoxymethoxy)-4,6-dimethyl-, [4R-(4R*,5S*,6R*)]-
SpectraBase Compound ID Jxj2Ed7ZWuA
InChI InChI=1S/C11H21NO3/c1-9(5-4-6-12)11(13)10(2)7-15-8-14-3/h9-11,13H,4-5,7-8H2,1-3H3/t9-,10-,11+/m1/s1
InChIKey WAFCFGBUBFDQFE-MXWKQRLJSA-N
Mol Weight 215.29 g/mol
Molecular Formula C11H21NO3
Exact Mass 215.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4dIc5OSSxfw
Name Heptanenitrile, 5-hydroxy-7-(methoxymethoxy)-4,6-dimethyl-, [4R-(4R*,5S*,6R*)]-
CAS Registry Number 135006-29-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H21NO3
InChI InChI=1S/C11H21NO3/c1-9(5-4-6-12)11(13)10(2)7-15-8-14-3/h9-11,13H,4-5,7-8H2,1-3H3/t9-,10-,11+/m1/s1
InChIKey WAFCFGBUBFDQFE-MXWKQRLJSA-N
Molecular Weight 215.293 g/mol
SMILES O[C@@]([C@@](CCC#N)(C)[H])([C@@](COCOC)(C)[H])[H]
SPLASH splash10-0ik9-0900000000-6bbdacf74954b1e58deb
Source of Spectrum C-113-5350-39
Synonyms (4R,5S,6R)-5-hydroxy-7-(methoxymethoxy)-4,6-dimethylheptanenitrile (4R,6R,5S)-(-)-4,6-dimethyl-5-hydroxy-7-(methoxymethoxy)-heptanenitrile
Wiley ID 1214537