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3-[ 9',10'-Dihydro-9',10'-ethanoanthracene-11'-ylidene]prop-2-enoic acid
SpectraBase Compound ID 4pNPojjde0I
InChI InChI=1S/C19H14O2/c20-18(21)10-9-12-11-17-13-5-1-3-7-15(13)19(12)16-8-4-2-6-14(16)17/h1-8,10,17,19H,11H2,(H,20,21)/t9?,17-,19+
InChIKey ROPUXBBJHOCYOA-IBQZTZDDSA-N
Mol Weight 274.32 g/mol
Molecular Formula C19H14O2
Exact Mass 274.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KjkCSehilJP
Name 3-[ 9',10'-Dihydro-9',10'-ethanoanthracene-11'-ylidene]prop-2-enoic acid
Alternate Name(s) 3-(9',10'-Dihydro-9',10'-ethanoanthracene-11'-ylidene)prop-2-enoic acid 3-tetracyclo[6.6.2.0(2,7).0(9,14)]hexadeca-2,4,6,9,11,13-hexaen-15-ylideneacrylic acid
Comments Less than 3 mono-isotopic peaks
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Formula C19H14O2
InChI InChI=1S/C19H14O2/c20-18(21)10-9-12-11-17-13-5-1-3-7-15(13)19(12)16-8-4-2-6-14(16)17/h1-8,10,17,19H,11H2,(H,20,21)/t9?,17-,19+
InChIKey ROPUXBBJHOCYOA-IBQZTZDDSA-N
Molecular Weight 274.319 g/mol
SMILES OC(C=C=C1[C@]2(c3ccccc3[C@@](C1)(c1ccccc21)[H])[H])=O
SPLASH splash10-004i-0900000000-df4e02f78f94f09b77a9
Source of Spectrum B-52-666-3
Wiley ID 746342