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3-Hydroxy-4,6-dimethyl-5-oxononan-7-yl phenylcarbamate
SpectraBase Compound ID LnhndWXnnQW
InChI InChI=1S/C18H27NO4/c1-5-15(20)12(3)17(21)13(4)16(6-2)23-18(22)19-14-10-8-7-9-11-14/h7-13,15-16,20H,5-6H2,1-4H3,(H,19,22)/t12-,13-,15+,16-/m0/s1
InChIKey HBTIWEQHAQJFPF-UGQVUOCMSA-N
Mol Weight 321.42 g/mol
Molecular Formula C18H27NO4
Exact Mass 321.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EitdB8JIBJF
Name 3-Hydroxy-4,6-dimethyl-5-oxononan-7-yl phenylcarbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27NO4
InChI InChI=1S/C18H27NO4/c1-5-15(20)12(3)17(21)13(4)16(6-2)23-18(22)19-14-10-8-7-9-11-14/h7-13,15-16,20H,5-6H2,1-4H3,(H,19,22)/t12-,13-,15+,16-/m0/s1
InChIKey HBTIWEQHAQJFPF-UGQVUOCMSA-N
Molecular Weight 321.417 g/mol
SMILES N(C(O[C@]([C@@](C([C@]([C@](O)(CC)[H])(C)[H])=O)(C)[H])(CC)[H])=O)c1ccccc1
SPLASH splash10-00kf-9803000000-d99b78a2e490c1541130
Source of Spectrum J-61-3928-5
Synonyms 1-Ethyl-5-hydroxy-2,4-dimethyl-3-oxoheptyl phenylcarbamate Phenyl-carbamic acid (1S,2S,4S,5R)-1-ethyl-5-hydroxy-2,4-dimethyl-3-oxo-heptyl ester N-phenylcarbamic acid [(3S,4S,6S,7R)-7-hydroxy-4,6-dimethyl-5-oxononan-3-yl] ester [(3S,4S,6S,7R)-7-hydroxy-4,6-dimethyl-5-oxononan-3-yl] N-phenylcarbamate [(1S,2S,4S,5R)-1-ethyl-5-hydroxy-2,4-dimethyl-3-oxo-heptyl] N-phenylcarbamate [(3S,4S,6S,7R)-4,6-dimethyl-7-oxidanyl-5-oxidanylidene-nonan-3-yl] N-phenylcarbamate
Wiley ID 1320962