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2-Butenedioic acid, (9-phenanthrenylmethyl)-, dimethyl ester, (Z)-
SpectraBase Compound ID BqzY8mZuvHI
InChI InChI=1S/C21H18O4/c1-24-20(22)13-16(21(23)25-2)12-15-11-14-7-3-4-8-17(14)19-10-6-5-9-18(15)19/h3-11,13H,12H2,1-2H3/b16-13-
InChIKey BHPATXXIQGJYRZ-SSZFMOIBSA-N
Mol Weight 334.37 g/mol
Molecular Formula C21H18O4
Exact Mass 334.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 42Mu7n7d5hn
Name 2-Butenedioic acid, (9-phenanthrenylmethyl)-, dimethyl ester, (Z)-
Alternate Name(s) Dimethyl (2Z)-2-(9-phenanthrylmethyl)-2-butenedioate Dimethyl-(9-phenan-thrylmethyl)maleate
CAS Registry Number 119521-91-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18O4
InChI InChI=1S/C21H18O4/c1-24-20(22)13-16(21(23)25-2)12-15-11-14-7-3-4-8-17(14)19-10-6-5-9-18(15)19/h3-11,13H,12H2,1-2H3/b16-13-
InChIKey BHPATXXIQGJYRZ-SSZFMOIBSA-N
Molecular Weight 334.371 g/mol
SMILES C(\C=C/(C(=O)OC)Cc1c2c(cccc2)c2c(c1)cccc2)(=O)OC
SPLASH splash10-014i-0093000000-e230fefbeec2d4a0e3ea
Source of Spectrum KC-1988-2582-5
Wiley ID 1331194