For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-[(3S,6R)-4,6-diethyl-6-[(2S)-2-methylhexyl]-3H-1,2-dioxin-3-yl]acetic acid
SpectraBase Compound ID IAbZRfcXKku
InChI InChI=1S/C17H30O4/c1-5-8-9-13(4)11-17(7-3)12-14(6-2)15(20-21-17)10-16(18)19/h12-13,15H,5-11H2,1-4H3,(H,18,19)/t13-,15-,17+/m0/s1
InChIKey ADLQEKVIRPQEBH-JLJPHGGASA-N
Mol Weight 298.42 g/mol
Molecular Formula C17H30O4
Exact Mass 298.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8PB7vIXZo1Z
Name 2-[(3S,6R)-4,6-diethyl-6-[(2S)-2-methylhexyl]-3H-1,2-dioxin-3-yl]acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H30O4
InChI InChI=1S/C17H30O4/c1-5-8-9-13(4)11-17(7-3)12-14(6-2)15(20-21-17)10-16(18)19/h12-13,15H,5-11H2,1-4H3,(H,18,19)/t13-,15-,17+/m0/s1
InChIKey ADLQEKVIRPQEBH-JLJPHGGASA-N
Molecular Weight 298.423 g/mol
SMILES OC(C[C@@]1(OO[C@@](C=C1CC)(C[C@](CCCC)(C)[H])CC)[H])=O
SPLASH splash10-004i-0900000000-586e1ca5ac4762143cb2
Source of Spectrum F-54-3064-1
Synonyms 2-[(3S,6R)-4,6-diethyl-6-[(2S)-2-methylhexyl]-3H-1,2-dioxin-3-yl]ethanoic acid 2-[(3S,6R)-4,6-diethyl-6-[(2S)-2-methylhexyl]-3H-o-dioxin-3-yl]acetic acid
Wiley ID 806340