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5H-Dibenzo[a,d]cyclohepten-5-one, 10,11-dihydro-10,11-bis(methoxymethyl)-3,6-dinitro-, (10R-trans)-
SpectraBase Compound ID 1RJ7sNjLyKg
InChI InChI=1S/C19H18N2O7/c1-27-9-15-12-7-6-11(20(23)24)8-14(12)19(22)18-13(16(15)10-28-2)4-3-5-17(18)21(25)26/h3-8,15-16H,9-10H2,1-2H3/t15-,16-/m0/s1
InChIKey QVXKCPKIVDDMAW-HOTGVXAUSA-N
Mol Weight 386.36 g/mol
Molecular Formula C19H18N2O7
Exact Mass 386.111401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FNC4MF7xwf5
Name 5H-Dibenzo[a,d]cyclohepten-5-one, 10,11-dihydro-10,11-bis(methoxymethyl)-3,6-dinitro-, (10R-trans)-
CAS Registry Number 115896-68-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18N2O7
InChI InChI=1S/C19H18N2O7/c1-27-9-15-12-7-6-11(20(23)24)8-14(12)19(22)18-13(16(15)10-28-2)4-3-5-17(18)21(25)26/h3-8,15-16H,9-10H2,1-2H3/t15-,16-/m0/s1
InChIKey QVXKCPKIVDDMAW-HOTGVXAUSA-N
Molecular Weight 386.360 g/mol
SMILES c12C(c3c(ccc(N(=O)=O)c3)[C@@]([C@](c1cccc2N(=O)=O)(COC)[H])(COC)[H])=O
SPLASH splash10-0002-9030000000-7b46cae5297ca9a89330
Source of Spectrum F-43-4960-39
Synonyms (10R,11R)-10,11-bis(methoxymethyl)-3,6-dinitro-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-one (10R,11R)-3,6-dinitro-10,11-bis(methoxymethyl)-10,11-dihydro-5H-dibenzo[a,d]cycloheptene-5-one
Wiley ID 1362493