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Vitamin A acetate

View entire compound with spectra: 9 NMR, 3 FTIR, and 8 MS (GC)

Vitamin A acetate
SpectraBase Compound ID H6ocfgXhJGY
InChI InChI=1S/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3/b10-7+,13-12+,17-9+,18-14+
InChIKey QGNJRVVDBSJHIZ-QHLGVNSISA-N
Mol Weight 328.5 g/mol
Molecular Formula C22H32O2
Exact Mass 328.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Y49I9EWB8L
Name Vatamin A acetate
CAS Registry Number 127-47-9
Comments Less than 3 mono-isotopic peaks
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Formula C22H32O2
InChI InChI=1S/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3/b10-7+,13-12+,17-9+,18-14+
InChIKey QGNJRVVDBSJHIZ-QHLGVNSISA-N
Molecular Weight 328.496 g/mol
SMILES C1(\C=C\C(=C\C=C\C(=C\COC(=O)C)C)C)=C(CCCC1(C)C)C
SPLASH splash10-00or-0079000000-5b622365b990c0c14f74
Source of Spectrum QA-33-176-0
Synonyms Retinol, acetate Acetic acid, retinyl ester all-trans-Retinol acetate all-trans-Retinyl acetate all-trans-Vitamin A acetate Crystalets Davitan A 650 MYVAK MYVAX O(15)-acetylretinol Retinol, acetate, all-trans- Retinyl acetate Retinyl acetate, all-trans- trans-Retinyl acetate trans-Vitamin A acetate acetic acid [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] ester Vitamin A alcohol acetate [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] acetate Vitamin A ester [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] ethanoate Vitamin A1 acetate BRN 1915439 CCRIS 1907 EINECS 204-844-2 NSC 122045 RO 1-5275
Wiley ID 860999