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Carbonic acid, ethyl 1-(3-hydroxy-1-butynyl)-2,2,6-trimethyl-3-(3-methyl-2-butenyl)cyclohexyl ester
SpectraBase Compound ID ACt9K1JRmDM
InChI InChI=1S/C21H34O4/c1-8-24-19(23)25-21(14-13-17(5)22)16(4)10-12-18(20(21,6)7)11-9-15(2)3/h9,16-18,22H,8,10-12H2,1-7H3
InChIKey NUTAFYZVRHHMBV-UHFFFAOYSA-N
Mol Weight 350.5 g/mol
Molecular Formula C21H34O4
Exact Mass 350.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 62vROyfZ95T
Name Carbonic acid, ethyl 1-(3-hydroxy-1-butynyl)-2,2,6-trimethyl-3-(3-methyl-2-butenyl)cyclohexyl ester
Alternate Name(s) Ethyl 1-(3-hydroxy-1-butynyl)-2,2,6-trimethyl-3-(3-methyl-2-butenyl)cyclohexyl carbonate Ethyl-[(3R)-1-(3'-hydroxy-1'-butinyl)-2,2,6-trimethyl-3-(3''-methyl-2''-butenyl)cyclohexyl]carbonat
CAS Registry Number 108361-26-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O4
InChI InChI=1S/C21H34O4/c1-8-24-19(23)25-21(14-13-17(5)22)16(4)10-12-18(20(21,6)7)11-9-15(2)3/h9,16-18,22H,8,10-12H2,1-7H3
InChIKey NUTAFYZVRHHMBV-UHFFFAOYSA-N
Molecular Weight 350.499 g/mol
SMILES OC(C#CC1(C(C(CC=C(C)C)CCC1C)(C)C)OC(=O)OCC)C
SPLASH splash10-05mo-8910000000-e599c9661ac1250069be
Source of Spectrum H-69-653-22
Wiley ID 1342149