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5H-Dibenzo[a,d]cycloheptene-10-carboxylic acid, 10,11-dihydro-11-(methoxymethyl)-, (10R-trans)-
SpectraBase Compound ID BCTN9T20dIW
InChI InChI=1S/C18H18O3/c1-21-11-16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)17(16)18(19)20/h2-9,16-17H,10-11H2,1H3,(H,19,20)/t16-,17-/m0/s1
InChIKey ZPFSSAFBTSVTQU-IRXDYDNUSA-N
Mol Weight 282.34 g/mol
Molecular Formula C18H18O3
Exact Mass 282.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ELUauyifaIc
Name 5H-Dibenzo[a,d]cycloheptene-10-carboxylic acid, 10,11-dihydro-11-(methoxymethyl)-, (10R-trans)-
CAS Registry Number 115474-42-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O3
InChI InChI=1S/C18H18O3/c1-21-11-16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)17(16)18(19)20/h2-9,16-17H,10-11H2,1H3,(H,19,20)/t16-,17-/m0/s1
InChIKey ZPFSSAFBTSVTQU-IRXDYDNUSA-N
Molecular Weight 282.339 g/mol
SMILES OC([C@@]1([C@](c2c(Cc3c1cccc3)cccc2)(COC)[H])[H])=O
SPLASH splash10-0zi4-3690000000-2a1d0bd983541658ca38
Source of Spectrum F-43-4956-12
Synonyms (10R,11R)-10-Methoxymethyl-10,11-dihydro-5H-dibenzo[a,d]cycloheptene-11-carboxylic acid (10R,11R)-11-(methoxymethyl)-10,11-dihydro-5H-dibenzo[a,d]cycloheptene-10-carboxylic acid
Wiley ID 1286233