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(1'R,4R)-4-(Nitromethyl)spiro[chroman-3,1'-cyclopentane]-2,2'-dione

View entire compound with spectra: 1 MS (GC)

(1'R,4R)-4-(Nitromethyl)spiro[chroman-3,1'-cyclopentane]-2,2'-dione
SpectraBase Compound ID AgtpQhnqdtt
InChI InChI=1S/C14H13NO5/c16-12-6-3-7-14(12)10(8-15(18)19)9-4-1-2-5-11(9)20-13(14)17/h1-2,4-5,10H,3,6-8H2/t10-,14-/m1/s1
InChIKey PXKURKPTUPZARY-QMTHXVAHSA-N
Mol Weight 275.26 g/mol
Molecular Formula C14H13NO5
Exact Mass 275.079373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ILJR1RxuWlO
Name (1'R,4R)-4-(Nitromethyl)spiro[chroman-3,1'-cyclopentane]-2,2'-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13NO5
InChI InChI=1S/C14H13NO5/c16-12-6-3-7-14(12)10(8-15(18)19)9-4-1-2-5-11(9)20-13(14)17/h1-2,4-5,10H,3,6-8H2/t10-,14-/m1/s1
InChIKey PXKURKPTUPZARY-QMTHXVAHSA-N
Molecular Weight 275.260 g/mol
SMILES [C@]12(C(Oc3c([C@]2(CN(=O)=O)[H])cccc3)=O)C(=O)CCC1
SPLASH splash10-0ldr-3960000000-caf2f4f0538cb647da1a
Source of Spectrum F4-44-780-11
Wiley ID 1706915