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(R)-phenanthren-9-yl 4-(benzo[d][1,3]dioxol-5-yl)-4-cyano-5-oxohexanoate

View entire compound with spectra: 1 MS (GC)

(R)-phenanthren-9-yl 4-(benzo[d][1,3]dioxol-5-yl)-4-cyano-5-oxohexanoate
SpectraBase Compound ID KkE18X0YyKG
InChI InChI=1S/C28H21NO5/c1-18(30)28(16-29,20-10-11-24-26(15-20)33-17-32-24)13-12-27(31)34-25-14-19-6-2-3-7-21(19)22-8-4-5-9-23(22)25/h2-11,14-15H,12-13,17H2,1H3/t28-/m1/s1
InChIKey YDBAFZJDSCCINK-MUUNZHRXSA-N
Mol Weight 451.48 g/mol
Molecular Formula C28H21NO5
Exact Mass 451.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4z7Ou7BJ9uY
Name (R)-phenanthren-9-yl 4-(benzo[d][1,3]dioxol-5-yl)-4-cyano-5-oxohexanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H21NO5
InChI InChI=1S/C28H21NO5/c1-18(30)28(16-29,20-10-11-24-26(15-20)33-17-32-24)13-12-27(31)34-25-14-19-6-2-3-7-21(19)22-8-4-5-9-23(22)25/h2-11,14-15H,12-13,17H2,1H3/t28-/m1/s1
InChIKey YDBAFZJDSCCINK-MUUNZHRXSA-N
Literature Reference DOI 10.1002/asia.201300595
Molecular Weight 451.478 g/mol
SMILES c1(OC(CC[C@@](C(=O)C)(c2ccc3OCOc3c2)C#N)=O)cc2c(c3c1cccc3)cccc2
SPLASH splash10-014i-2900000000-67c28104a031acd91d2d
Source of Spectrum CAJ-8-1966/SM14-3c
Synonyms Phenanthren-9-yl 4-(benzo[d][1,3]dioxol-5-yl)-4-cyano-5-oxohexanoate
Wiley ID 1772062