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trans-7-Methyl-4-nitro-2,3,3a,4,5,6-hexahydroinden-1-one
SpectraBase Compound ID B5T6D5FXpv2
InChI InChI=1S/C10H13NO3/c1-6-2-4-8(11(13)14)7-3-5-9(12)10(6)7/h7-8H,2-5H2,1H3/t7-,8-/m0/s1
InChIKey QCWWSAVUAREIIF-YUMQZZPRSA-N
Mol Weight 195.22 g/mol
Molecular Formula C10H13NO3
Exact Mass 195.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID How5tnqNNql
Name trans-7-Methyl-4-nitro-2,3,3a,4,5,6-hexahydroinden-1-one
Alternate Name(s) (3aR,4S)-7-methyl-4-nitro-2,3,3a,4,5,6-hexahydro-1H-inden-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13NO3
InChI InChI=1S/C10H13NO3/c1-6-2-4-8(11(13)14)7-3-5-9(12)10(6)7/h7-8H,2-5H2,1H3/t7-,8-/m0/s1
InChIKey QCWWSAVUAREIIF-YUMQZZPRSA-N
Molecular Weight 195.218 g/mol
SMILES [C@@]12(C(=C(C)CC[C@@]2(N(=O)=O)[H])C(=O)CC1)[H]
SPLASH splash10-052b-2900000000-f412055e73f3eb244da7
Source of Spectrum F-50-2900-7
Wiley ID 1192023