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(4aS,9aS)-9a-(3,4-Dimethyl-3-pentenyl)-3,3-dimethyl-9-aza-2,4-dioxa-1,2,3,4,4a,10,9,9a-octahydroanthracene-6-carboxylic acid

View entire compound with spectra: 1 MS (GC)

(4aS,9aS)-9a-(3,4-Dimethyl-3-pentenyl)-3,3-dimethyl-9-aza-2,4-dioxa-1,2,3,4,4a,10,9,9a-octahydroanthracene-6-carboxylic acid
SpectraBase Compound ID KdCngqqGWPz
InChI InChI=1S/C21H29NO4/c1-13(2)14(3)8-9-21-12-25-20(4,5)26-18(21)11-16-10-15(19(23)24)6-7-17(16)22-21/h6-7,10,18,22H,8-9,11-12H2,1-5H3,(H,23,24)/t18-,21-/m0/s1
InChIKey YUKHWFCRWNUHOQ-RXVVDRJESA-N
Mol Weight 359.47 g/mol
Molecular Formula C21H29NO4
Exact Mass 359.209658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4tHdvSlsiO
Name (4aS,9aS)-9a-(3,4-Dimethyl-3-pentenyl)-3,3-dimethyl-9-aza-2,4-dioxa-1,2,3,4,4a,10,9,9a-octahydroanthracene-6-carboxylic acid
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Formula C21H29NO4
InChI InChI=1S/C21H29NO4/c1-13(2)14(3)8-9-21-12-25-20(4,5)26-18(21)11-16-10-15(19(23)24)6-7-17(16)22-21/h6-7,10,18,22H,8-9,11-12H2,1-5H3,(H,23,24)/t18-,21-/m0/s1
InChIKey YUKHWFCRWNUHOQ-RXVVDRJESA-N
Molecular Weight 359.466 g/mol
SMILES N1c2c(cc(C(=O)O)cc2)C[C@]2([C@@]1(COC(C)(C)O2)CCC(=C(C)C)C)[H]
SPLASH splash10-0pb9-7592000000-3fab255de953003f1741
Source of Spectrum F-52-10647-41
Synonyms (4aS,10aS)-4a-(3,4-dimethyl-3-pentenyl)-2,2-dimethyl-4a,5,10,10a-tetrahydro-4H-[1,3]dioxino[5,4-b]quinoline-8-carboxylic acid
Wiley ID 798155